4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

C154H162Cl9F13N12O25S6 — CID 162067376

IUPAC4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F
InChIInChI=1S/2C28H27Cl2FN2O4S.C25H27ClF4N2O5S.C25H27ClF4N2O4S.C24H27Cl2FN2O4S.C24H27ClF2N2O4S/c2*1-38(35,36)32-28(34)24-12-23(18-7-8-18)26(13-25(24)31)37-16-17-14-33(15-17)27(19-5-3-2-4-6-19)20-9-21(29)11-22(30)10-20;1-38(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(26)10-19(9-16)37-25(28,29)30;1-37(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(25(28,29)30)10-19(26)9-16;1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16;1-34(31,32)28-24(30)19-11-18(17-3-4-17)23(12-21(19)26)33-14-15-6-8-29(9-7-15)13-16-2-5-20(25)22(27)10-16/h2*2-6,9-13,17-18,27H,7-8,14-16H2,1H3,(H,32,34);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,28,30);2,5,10-12,15,17H,3-4,6-9,13-14H2,1H3,(H,28,30)/t2*27-;;;;/m10..../s1
InChIKeyZAQCAKKNSIWWOX-JFKJLCEZSA-N
MW3339.50 g/mol
LogP31.66
Rot. Bonds51

About 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 162067376) has the molecular formula C154H162Cl9F13N12O25S6 and a molecular weight of 3339.50 g/mol. Its IUPAC name is 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID162067376
Molecular FormulaC154H162Cl9F13N12O25S6
Molecular Weight3339.50 g/mol
Exact Mass3332.71
IUPAC Name4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F
InChIInChI=1S/2C28H27Cl2FN2O4S.C25H27ClF4N2O5S.C25H27ClF4N2O4S.C24H27Cl2FN2O4S.C24H27ClF2N2O4S/c2*1-38(35,36)32-28(34)24-12-23(18-7-8-18)26(13-25(24)31)37-16-17-14-33(15-17)27(19-5-3-2-4-6-19)20-9-21(29)11-22(30)10-20;1-38(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(26)10-19(9-16)37-25(28,29)30;1-37(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(25(28,29)30)10-19(26)9-16;1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16;1-34(31,32)28-24(30)19-11-18(17-3-4-17)23(12-21(19)26)33-14-15-6-8-29(9-7-15)13-16-2-5-20(25)22(27)10-16/h2*2-6,9-13,17-18,27H,7-8,14-16H2,1H3,(H,32,34);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,28,30);2,5,10-12,15,17H,3-4,6-9,13-14H2,1H3,(H,28,30)/t2*27-;;;;/m10..../s1
InChIKeyZAQCAKKNSIWWOX-JFKJLCEZSA-N
XLogP31.66
TPSA463.49 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003339.50
LogP ≤ 531.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide with MolForge

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Related Compounds

5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111314
4-[[1-[(4-chloro-3-fluorophenyl)methyl]azetidin-3-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118111189
4-[[1-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110940
4-[[1-[(3-chloro-5-cyclopropyloxyphenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 122700254
5-cyclopropyl-2-fluoro-4-[[1-[(S)-(2-fluorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-N-methylsulfonylbenzamide
CID 118111227
5-cyclopropyl-2-fluoro-4-[[1-[(S)-(4-fluorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-N-methylsulfonylbenzamide
CID 118111117
4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfanylbenzamide
CID 144849968
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[(S)-phenyl(pyridin-4-yl)methyl]azetidin-3-yl]methoxy]benzamide;molecular hydrogen
CID 144850521
5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111342
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[(S)-phenyl(pyridin-2-yl)methyl]azetidin-3-yl]methoxy]benzamide
CID 118111060
5-cyclopropyl-4-[[1-[(2,4-dichloro-5-fluorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 118110846
4-[(1-benzhydrylazetidin-3-yl)methoxy]-5-cyclopropyl-N-ethylsulfonyl-2-fluorobenzamide
CID 86703781

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide (CID 162067376) is 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN([C@H](c3ccccc3)c3cc(Cl)cc(Cl)c3)C2)cc1F.
What is the InChIKey of 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is ZAQCAKKNSIWWOX-JFKJLCEZSA-N. The full InChI is InChI=1S/2C28H27Cl2FN2O4S.C25H27ClF4N2O5S.C25H27ClF4N2O4S.C24H27Cl2FN2O4S.C24H27ClF2N2O4S/c2*1-38(35,36)32-28(34)24-12-23(18-7-8-18)26(13-25(24)31)37-16-17-14-33(15-17)27(19-5-3-2-4-6-19)20-9-21(29)11-22(30)10-20;1-38(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(26)10-19(9-16)37-25(28,29)30;1-37(34,35)31-24(33)21-11-20(17-2-3-17)23(12-22(21)27)36-14-15-4-6-32(7-5-15)13-16-8-18(25(28,29)30)10-19(26)9-16;1-34(31,32)28-24(30)21-11-20(17-2-3-17)23(12-22(21)27)33-14-15-4-6-29(7-5-15)13-16-8-18(25)10-19(26)9-16;1-34(31,32)28-24(30)19-11-18(17-3-4-17)23(12-21(19)26)33-14-15-6-8-29(9-7-15)13-16-2-5-20(25)22(27)10-16/h2*2-6,9-13,17-18,27H,7-8,14-16H2,1H3,(H,32,34);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,31,33);8-12,15,17H,2-7,13-14H2,1H3,(H,28,30);2,5,10-12,15,17H,3-4,6-9,13-14H2,1H3,(H,28,30)/t2*27-;;;;/m10..../s1.
What are the key properties of 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 3339.50 g/mol, XLogP of 31.66, 51 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(R)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-4-[[1-[(S)-(3,5-dichlorophenyl)-phenylmethyl]azetidin-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 162067376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).