sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine

C93H93Br2F13N15NaO15S4 — CID 158440982

IUPACsodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine
SMILESCCc1cn(C)cn1.CNS(=O)(=O)c1ccc(Cc2ccc(OC(F)(F)F)cn2)c(-c2cn(C)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(Br)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(Br)c2)cc1.Nc1ccc(OC(F)(F)F)cn1.[H-].[Na+]
InChIInChI=1S/C26H25F3N4O4S.C22H20BrF3N2O4S.C18H17F3N4O3S.C15H15BrFNO3S.C6H5F3N2O.C6H10N2.Na.H/c1-32-16-25(31-17-32)24-13-23(38(34,35)33(2)15-18-4-8-21(36-3)9-5-18)11-6-19(24)12-20-7-10-22(14-30-20)37-26(27,28)29;1-28(14-15-3-7-18(31-2)8-4-15)33(29,30)20-10-5-16(21(23)12-20)11-17-6-9-19(13-27-17)32-22(24,25)26;1-22-29(26,27)15-6-3-12(16(8-15)17-10-25(2)11-24-17)7-13-4-5-14(9-23-13)28-18(19,20)21;1-18(10-11-3-5-12(21-2)6-4-11)22(19,20)13-7-8-15(17)14(16)9-13;7-6(8,9)12-4-1-2-5(10)11-3-4;1-3-6-4-8(2)5-7-6;;/h4-11,13-14,16-17H,12,15H2,1-3H3;3-10,12-13H,11,14H2,1-2H3;3-6,8-11,22H,7H2,1-2H3;3-9H,10H2,1-2H3;1-3H,(H2,10,11);4-5H,3H2,1-2H3;;/q;;;;;;+1;-1
InChIKeyHRXBJWMLTAZQIW-UHFFFAOYSA-N
MW2218.90 g/mol
LogP15.92
Rot. Bonds30

About sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine

sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 158440982) has the molecular formula C93H93Br2F13N15NaO15S4 and a molecular weight of 2218.90 g/mol. Its IUPAC name is sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Namesodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine
PubChem CID158440982
Molecular FormulaC93H93Br2F13N15NaO15S4
Molecular Weight2218.90 g/mol
Exact Mass2215.39
IUPAC Namesodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine
SMILESCCc1cn(C)cn1.CNS(=O)(=O)c1ccc(Cc2ccc(OC(F)(F)F)cn2)c(-c2cn(C)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(Br)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(Br)c2)cc1.Nc1ccc(OC(F)(F)F)cn1.[H-].[Na+]
InChIInChI=1S/C26H25F3N4O4S.C22H20BrF3N2O4S.C18H17F3N4O3S.C15H15BrFNO3S.C6H5F3N2O.C6H10N2.Na.H/c1-32-16-25(31-17-32)24-13-23(38(34,35)33(2)15-18-4-8-21(36-3)9-5-18)11-6-19(24)12-20-7-10-22(14-30-20)37-26(27,28)29;1-28(14-15-3-7-18(31-2)8-4-15)33(29,30)20-10-5-16(21(23)12-20)11-17-6-9-19(13-27-17)32-22(24,25)26;1-22-29(26,27)15-6-3-12(16(8-15)17-10-25(2)11-24-17)7-13-4-5-14(9-23-13)28-18(19,20)21;1-18(10-11-3-5-12(21-2)6-4-11)22(19,20)13-7-8-15(17)14(16)9-13;7-6(8,9)12-4-1-2-5(10)11-3-4;1-3-6-4-8(2)5-7-6;;/h4-11,13-14,16-17H,12,15H2,1-3H3;3-10,12-13H,11,14H2,1-2H3;3-6,8-11,22H,7H2,1-2H3;3-9H,10H2,1-2H3;1-3H,(H2,10,11);4-5H,3H2,1-2H3;;/q;;;;;;+1;-1
InChIKeyHRXBJWMLTAZQIW-UHFFFAOYSA-N
XLogP15.92
TPSA353.96 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.90
LogP ≤ 515.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

bromocyclobutane;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclobutylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclobutylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclobutyl-4-iodoimidazole;5-iodo-1H-imidazole;oxolane;tributyl-(1-cyclobutylimidazol-4-yl)stannane
CID 157483838
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;1,4-dimethylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;(1S)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 157537756
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;1,4-dimethylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;(1R)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 157537760
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;1,4-dimethylimidazole;methane;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide;(1R)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 157950732
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-(bromomethyl)-2-fluorobenzene;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-[1-[(2-fluorophenyl)methyl]imidazol-4-yl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-[(2-fluorophenyl)methyl]-4-iodoimidazole;1-[(2-fluorophenyl)methyl]-4-methylimidazole;5-iodo-1H-imidazole;methane;oxolane
CID 158259382
sodium;bis(4-bromo-1-cyclopropylimidazole);5-bromo-1H-imidazole;cyclopropylboronic acid;3-(1-cyclopropylimidazol-4-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;hydride;4-(trifluoromethyl)pyridin-2-amine
CID 158491402
bis(3-(1-benzylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide);1-benzyl-4-iodoimidazole;1-benzyl-4-methylimidazole;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;bromomethylbenzene;5-iodo-1H-imidazole;oxolane
CID 158523259
3-bromo-4-fluorobenzenesulfonyl chloride;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;methane;1-(4-methoxyphenyl)-N-methylmethanamine;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethyl)pyridin-2-amine
CID 158590784
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide;6-(trifluoromethyl)pyridin-3-amine
CID 159388460
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide;4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;4-iodo-1-methylimidazole;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;4-(trifluoromethyl)pyridin-2-amine
CID 159871823
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;cyclopropylboronic acid;1-cyclopropyl-4-ethylimidazole;3-(1-cyclopropylimidazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;1-cyclopropyl-4-iodoimidazole;5-iodo-3H-pyrrole;oxolane
CID 160614245
3-bromo-N-ethyl-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide;3-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;3-bromo-4-fluorobenzenesulfonyl chloride;1,4-dimethylimidazole;N-ethyl-N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-ethyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide;N-[(4-methoxyphenyl)methyl]ethanamine;5-(trifluoromethyl)pyridin-2-amine
CID 160938980

Frequently Asked Questions

What is the IUPAC name of sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine (CID 158440982) is sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine is CCc1cn(C)cn1.CNS(=O)(=O)c1ccc(Cc2ccc(OC(F)(F)F)cn2)c(-c2cn(C)cn2)c1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(-c3cn(C)cn3)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(Cc3ccc(OC(F)(F)F)cn3)c(Br)c2)cc1.COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(Br)c2)cc1.Nc1ccc(OC(F)(F)F)cn1.[H-].[Na+].
What is the InChIKey of sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is HRXBJWMLTAZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4S.C22H20BrF3N2O4S.C18H17F3N4O3S.C15H15BrFNO3S.C6H5F3N2O.C6H10N2.Na.H/c1-32-16-25(31-17-32)24-13-23(38(34,35)33(2)15-18-4-8-21(36-3)9-5-18)11-6-19(24)12-20-7-10-22(14-30-20)37-26(27,28)29;1-28(14-15-3-7-18(31-2)8-4-15)33(29,30)20-10-5-16(21(23)12-20)11-17-6-9-19(13-27-17)32-22(24,25)26;1-22-29(26,27)15-6-3-12(16(8-15)17-10-25(2)11-24-17)7-13-4-5-14(9-23-13)28-18(19,20)21;1-18(10-11-3-5-12(21-2)6-4-11)22(19,20)13-7-8-15(17)14(16)9-13;7-6(8,9)12-4-1-2-5(10)11-3-4;1-3-6-4-8(2)5-7-6;;/h4-11,13-14,16-17H,12,15H2,1-3H3;3-10,12-13H,11,14H2,1-2H3;3-6,8-11,22H,7H2,1-2H3;3-9H,10H2,1-2H3;1-3H,(H2,10,11);4-5H,3H2,1-2H3;;/q;;;;;;+1;-1.
What are the key properties of sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine?
sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 2218.90 g/mol, XLogP of 15.92, 30 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide;3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;4-ethyl-1-methylimidazole;hydride;N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]benzenesulfonamide;5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 158440982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).