N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine

C147H199Cl10F8N31O16S6 — CID 159732555

IUPACN-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine
SMILESCC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(N)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/2C25H35Cl2N5O3S.2C25H33ClF3N5O3S.C24H32Cl2FN5O2S.C23H31Cl2FN6O2S/c2*1-4-21-17-31(25-23(27)14-20(15-28-25)29-36(3,33)34)11-12-32(21)22-7-9-30(10-8-22)16-18-5-6-19(26)13-24(18)35-2;2*1-3-20-17-33(24-23(26)14-19(15-30-24)31-38(2,35)36)12-13-34(20)21-8-10-32(11-9-21)16-18-4-6-22(7-5-18)37-25(27,28)29;1-3-20-16-31(24-22(26)13-19(14-28-24)29-35(2,33)34)10-11-32(20)21-6-8-30(9-7-21)15-17-4-5-18(25)12-23(17)27;1-2-19-15-31(23-21(25)12-18(13-28-23)29-35(27,33)34)9-10-32(19)20-5-7-30(8-6-20)14-16-3-4-17(24)11-22(16)26/h2*5-6,13-15,21-22,29H,4,7-12,16-17H2,1-3H3;2*4-7,14-15,20-21,31H,3,8-13,16-17H2,1-2H3;4-5,12-14,20-21,29H,3,6-11,15-16H2,1-2H3;3-4,11-13,19-20,29H,2,5-10,14-15H2,1H3,(H2,27,33,34)/t2*21-;3*20-;19-/m000000/s1
InChIKeyNBKKCZFSCMQDIN-QFQYNJBVSA-N
MW3355.33 g/mol
LogP25.98
Rot. Bonds46

About N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine

N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine (PubChem CID 159732555) has the molecular formula C147H199Cl10F8N31O16S6 and a molecular weight of 3355.33 g/mol. Its IUPAC name is N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine.

Molecular Properties

Compound NameN-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine
PubChem CID159732555
Molecular FormulaC147H199Cl10F8N31O16S6
Molecular Weight3355.33 g/mol
Exact Mass3348.08
IUPAC NameN-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine
SMILESCC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(N)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/2C25H35Cl2N5O3S.2C25H33ClF3N5O3S.C24H32Cl2FN5O2S.C23H31Cl2FN6O2S/c2*1-4-21-17-31(25-23(27)14-20(15-28-25)29-36(3,33)34)11-12-32(21)22-7-9-30(10-8-22)16-18-5-6-19(26)13-24(18)35-2;2*1-3-20-17-33(24-23(26)14-19(15-30-24)31-38(2,35)36)12-13-34(20)21-8-10-32(11-9-21)16-18-4-6-22(7-5-18)37-25(27,28)29;1-3-20-16-31(24-22(26)13-19(14-28-24)29-35(2,33)34)10-11-32(20)21-6-8-30(9-7-21)15-17-4-5-18(25)12-23(17)27;1-2-19-15-31(23-21(25)12-18(13-28-23)29-35(27,33)34)9-10-32(19)20-5-7-30(8-6-20)14-16-3-4-17(24)11-22(16)26/h2*5-6,13-15,21-22,29H,4,7-12,16-17H2,1-3H3;2*4-7,14-15,20-21,31H,3,8-13,16-17H2,1-2H3;4-5,12-14,20-21,29H,3,6-11,15-16H2,1-2H3;3-4,11-13,19-20,29H,2,5-10,14-15H2,1H3,(H2,27,33,34)/t2*21-;3*20-;19-/m000000/s1
InChIKeyNBKKCZFSCMQDIN-QFQYNJBVSA-N
XLogP25.98
TPSA475.62 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003355.33
LogP ≤ 525.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]pyridin-3-yl]methanesulfonamide
CID 11853696
N-[5-chloro-6-[(3S)-4-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyridin-3-yl]methanesulfonamide
CID 11853698
N-[5-chloro-6-[(3S)-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 57762208
N-[5-chloro-6-[3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]pyridin-3-yl]methanesulfonamide
CID 68246693
N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]acetamide;N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;3-[[5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]amino]-4-(cyclopropylamino)cyclobut-3-ene-1,2-dione;N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine;N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 158210923
N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine;(2S)-4-(3-chloro-5-nitro-2-pyridinyl)-1-cyclohexyl-2-ethylpiperazine;(2S)-4-(3-chloro-5-nitro-2-pyridinyl)-2-ethyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazine
CID 158868544
bis(3-amino-4-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]amino]cyclobut-3-ene-1,2-dione);bis(3-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]amino]-4-(2,2,2-trifluoroethylamino)cyclobut-3-ene-1,2-dione);3-[[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]amino]-4-(cyclopropylamino)cyclobut-3-ene-1,2-dione
CID 159888969
bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine);bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide)
CID 159933045
N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide)
CID 159977152
bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine);N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine)
CID 160032256
bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine);N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide)
CID 160125138
N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]acetamide;N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;3-[[5-chloro-6-[(3S)-4-[1-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]amino]-4-(cyclopropylamino)cyclobut-3-ene-1,2-dione;N-[5-chloro-6-[(3S)-4-[1-[[4-(1,1-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]-4-cyclopropylimino-1,1-dioxo-1,2,5-thiadiazol-3-amine;N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 160308379

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine?
The IUPAC name of N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine (CID 159732555) is N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine.
What is the SMILES notation for N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine?
The canonical SMILES for N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine is CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2OC)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(C)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.CC[C@H]1CN(c2ncc(NS(N)(=O)=O)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine?
The InChIKey is NBKKCZFSCMQDIN-QFQYNJBVSA-N. The full InChI is InChI=1S/2C25H35Cl2N5O3S.2C25H33ClF3N5O3S.C24H32Cl2FN5O2S.C23H31Cl2FN6O2S/c2*1-4-21-17-31(25-23(27)14-20(15-28-25)29-36(3,33)34)11-12-32(21)22-7-9-30(10-8-22)16-18-5-6-19(26)13-24(18)35-2;2*1-3-20-17-33(24-23(26)14-19(15-30-24)31-38(2,35)36)12-13-34(20)21-8-10-32(11-9-21)16-18-4-6-22(7-5-18)37-25(27,28)29;1-3-20-16-31(24-22(26)13-19(14-28-24)29-35(2,33)34)10-11-32(20)21-6-8-30(9-7-21)15-17-4-5-18(25)12-23(17)27;1-2-19-15-31(23-21(25)12-18(13-28-23)29-35(27,33)34)9-10-32(19)20-5-7-30(8-6-20)14-16-3-4-17(24)11-22(16)26/h2*5-6,13-15,21-22,29H,4,7-12,16-17H2,1-3H3;2*4-7,14-15,20-21,31H,3,8-13,16-17H2,1-2H3;4-5,12-14,20-21,29H,3,6-11,15-16H2,1-2H3;3-4,11-13,19-20,29H,2,5-10,14-15H2,1H3,(H2,27,33,34)/t2*21-;3*20-;19-/m000000/s1.
What are the key properties of N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine?
N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine has a molecular weight of 3355.33 g/mol, XLogP of 25.98, 46 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide;bis(N-[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanesulfonamide);bis(N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide);(2S)-1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-4-[3-chloro-5-(sulfamoylamino)-2-pyridinyl]-2-ethylpiperazine is sourced from PubChem (CID 159732555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).