4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide

C88H102F5N21O10S5 — CID 163455167

IUPAC4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCCn1cnc(-c2cc(S(=O)(=O)NC)ccc2CC2CCCCC2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnnn2C)c1
InChIInChI=1S/C20H27N3O2S.C19H27N3O2S.C17H18FN5O2S.2C16H15F2N5O2S/c1-21-26(24,25)18-10-7-16(11-15-5-3-2-4-6-15)19(12-18)20-13-23(14-22-20)17-8-9-17;1-3-22-13-19(21-14-22)18-12-17(25(23,24)20-2)10-9-16(18)11-15-7-5-4-6-8-15;1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-22-23(3)21-17;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-21-22-23(16)2;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h7,10,12-15,17,21H,2-6,8-9,11H2,1H3;9-10,12-15,20H,3-8,11H2,1-2H3;4-7,9-10,19H,8H2,1-3H3;2*3-6,8-9,19H,7H2,1-2H3
InChIKeyBJVBSUJDWIIKQG-UHFFFAOYSA-N
MW1869.25 g/mol
LogP12.65
Rot. Bonds27

About 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide

4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 163455167) has the molecular formula C88H102F5N21O10S5 and a molecular weight of 1869.25 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID163455167
Molecular FormulaC88H102F5N21O10S5
Molecular Weight1869.25 g/mol
Exact Mass1867.66
IUPAC Name4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide
SMILESCCn1cnc(-c2cc(S(=O)(=O)NC)ccc2CC2CCCCC2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnnn2C)c1
InChIInChI=1S/C20H27N3O2S.C19H27N3O2S.C17H18FN5O2S.2C16H15F2N5O2S/c1-21-26(24,25)18-10-7-16(11-15-5-3-2-4-6-15)19(12-18)20-13-23(14-22-20)17-8-9-17;1-3-22-13-19(21-14-22)18-12-17(25(23,24)20-2)10-9-16(18)11-15-7-5-4-6-8-15;1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-22-23(3)21-17;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-21-22-23(16)2;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h7,10,12-15,17,21H,2-6,8-9,11H2,1H3;9-10,12-15,20H,3-8,11H2,1-2H3;4-7,9-10,19H,8H2,1-3H3;2*3-6,8-9,19H,7H2,1-2H3
InChIKeyBJVBSUJDWIIKQG-UHFFFAOYSA-N
XLogP12.65
TPSA397.29 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.25
LogP ≤ 512.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide (CID 163455167) is 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide is CCn1cnc(-c2cc(S(=O)(=O)NC)ccc2CC2CCCCC2)c1.CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cc(C)cc(F)c2)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnn(C)n2)c1.CNS(=O)(=O)c1ccc(Cc2cc(F)ccc2F)c(-c2nnnn2C)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is BJVBSUJDWIIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S.C19H27N3O2S.C17H18FN5O2S.2C16H15F2N5O2S/c1-21-26(24,25)18-10-7-16(11-15-5-3-2-4-6-15)19(12-18)20-13-23(14-22-20)17-8-9-17;1-3-22-13-19(21-14-22)18-12-17(25(23,24)20-2)10-9-16(18)11-15-7-5-4-6-8-15;1-11-6-12(9-14(18)7-11)8-13-4-5-15(26(24,25)19-2)10-16(13)17-20-22-23(3)21-17;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-21-22-23(16)2;1-19-26(24,25)13-5-3-10(7-11-8-12(17)4-6-15(11)18)14(9-13)16-20-22-23(2)21-16/h7,10,12-15,17,21H,2-6,8-9,11H2,1H3;9-10,12-15,20H,3-8,11H2,1-2H3;4-7,9-10,19H,8H2,1-3H3;2*3-6,8-9,19H,7H2,1-2H3.
What are the key properties of 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide?
4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 1869.25 g/mol, XLogP of 12.65, 27 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-(1-cyclopropylimidazol-4-yl)-N-methylbenzenesulfonamide;4-(cyclohexylmethyl)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(1-methyltetrazol-5-yl)benzenesulfonamide;4-[(2,5-difluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide;4-[(3-fluoro-5-methylphenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 163455167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).