bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide

C58H71F6N9O6S3 — CID 163820109

IUPACbis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2c(F)cccc2F)c(-c2cn(C)cn2)c1
InChIInChI=1S/2C20H27F2N3O2S.C18H17F2N3O2S/c2*1-20(21,22)16-7-4-14(5-8-16)10-15-6-9-17(28(26,27)23-2)11-18(15)19-12-25(3)13-24-19;1-21-26(24,25)13-7-6-12(8-15-16(19)4-3-5-17(15)20)14(9-13)18-10-23(2)11-22-18/h2*6,9,11-14,16,23H,4-5,7-8,10H2,1-3H3;3-7,9-11,21H,8H2,1-2H3
InChIKeyNUQHUXYYVJGCOG-UHFFFAOYSA-N
MW1200.45 g/mol
LogP10.86
Rot. Bonds17

About bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide

bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide (PubChem CID 163820109) has the molecular formula C58H71F6N9O6S3 and a molecular weight of 1200.45 g/mol. Its IUPAC name is bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Namebis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
PubChem CID163820109
Molecular FormulaC58H71F6N9O6S3
Molecular Weight1200.45 g/mol
Exact Mass1199.46
IUPAC Namebis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2c(F)cccc2F)c(-c2cn(C)cn2)c1
InChIInChI=1S/2C20H27F2N3O2S.C18H17F2N3O2S/c2*1-20(21,22)16-7-4-14(5-8-16)10-15-6-9-17(28(26,27)23-2)11-18(15)19-12-25(3)13-24-19;1-21-26(24,25)13-7-6-12(8-15-16(19)4-3-5-17(15)20)14(9-13)18-10-23(2)11-22-18/h2*6,9,11-14,16,23H,4-5,7-8,10H2,1-3H3;3-7,9-11,21H,8H2,1-2H3
InChIKeyNUQHUXYYVJGCOG-UHFFFAOYSA-N
XLogP10.86
TPSA191.97 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.45
LogP ≤ 510.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfanyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 142070520
N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 155656064
N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 155656065
N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 157442155
3-(1-ethylimidazol-4-yl)-N-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 157467308
N-methyl-3-(1-methylimidazol-4-yl)-4-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 157537757
N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 157537761
4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 157656674
N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzenesulfonamide
CID 157919876
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 157924326
N-methyl-3-(1-methylimidazol-4-yl)-4-[(2S)-2-[3-(trifluoromethyl)phenyl]propyl]benzenesulfonamide
CID 157950733
1-(Benzenesulfonyl)-2-(2-methylpropyl)pyrrole;1,3-dimethyl-2-(2-methylpropyl)benzene;9-ethyl-2-(2-methylpropyl)carbazole;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;(2-methyl-1-phenylpropyl)benzene;propane;1-(4-propan-2-ylphenyl)imidazole
CID 158170397

Frequently Asked Questions

What is the IUPAC name of bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide?
The IUPAC name of bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide (CID 163820109) is bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(CC2CCC(C(C)(F)F)CC2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2c(F)cccc2F)c(-c2cn(C)cn2)c1.
What is the InChIKey of bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide?
The InChIKey is NUQHUXYYVJGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H27F2N3O2S.C18H17F2N3O2S/c2*1-20(21,22)16-7-4-14(5-8-16)10-15-6-9-17(28(26,27)23-2)11-18(15)19-12-25(3)13-24-19;1-21-26(24,25)13-7-6-12(8-15-16(19)4-3-5-17(15)20)14(9-13)18-10-23(2)11-22-18/h2*6,9,11-14,16,23H,4-5,7-8,10H2,1-3H3;3-7,9-11,21H,8H2,1-2H3.
What are the key properties of bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide?
bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide has a molecular weight of 1200.45 g/mol, XLogP of 10.86, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 163820109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).