5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide

C79H123N9O12S6 — CID 158836226

IUPAC5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C3(C)CC3)c2)n1CC1CCCCC1
InChIInChI=1S/C27H43N3O4S2.C26H39N3O4S2.C26H41N3O4S2/c1-19-25(35(28,31)32)17-23(30(19)18-20-12-10-9-11-13-20)21-14-15-24(22(16-21)26(2,3)4)36(33,34)29(8)27(5,6)7;1-18-24(34(27,30)31)16-22(29(18)17-19-9-7-6-8-10-19)20-11-12-23(21(15-20)26(5)13-14-26)35(32,33)28-25(2,3)4;1-18-24(34(27,30)31)16-22(29(18)17-19-11-9-8-10-12-19)20-13-14-23(21(15-20)25(2,3)4)35(32,33)28-26(5,6)7/h14-17,20H,9-13,18H2,1-8H3,(H2,28,31,32);11-12,15-16,19,28H,6-10,13-14,17H2,1-5H3,(H2,27,30,31);13-16,19,28H,8-12,17H2,1-7H3,(H2,27,30,31)
InChIKeyIXRDGVCYNDYQBC-UHFFFAOYSA-N
MW1583.31 g/mol
LogP15.29
Rot. Bonds19

About 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide

5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide (PubChem CID 158836226) has the molecular formula C79H123N9O12S6 and a molecular weight of 1583.31 g/mol. Its IUPAC name is 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
PubChem CID158836226
Molecular FormulaC79H123N9O12S6
Molecular Weight1583.31 g/mol
Exact Mass1581.76
IUPAC Name5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C3(C)CC3)c2)n1CC1CCCCC1
InChIInChI=1S/C27H43N3O4S2.C26H39N3O4S2.C26H41N3O4S2/c1-19-25(35(28,31)32)17-23(30(19)18-20-12-10-9-11-13-20)21-14-15-24(22(16-21)26(2,3)4)36(33,34)29(8)27(5,6)7;1-18-24(34(27,30)31)16-22(29(18)17-19-9-7-6-8-10-19)20-11-12-23(21(15-20)26(5)13-14-26)35(32,33)28-25(2,3)4;1-18-24(34(27,30)31)16-22(29(18)17-19-11-9-8-10-12-19)20-13-14-23(21(15-20)25(2,3)4)35(32,33)28-26(5,6)7/h14-17,20H,9-13,18H2,1-8H3,(H2,28,31,32);11-12,15-16,19,28H,6-10,13-14,17H2,1-5H3,(H2,27,30,31);13-16,19,28H,8-12,17H2,1-7H3,(H2,27,30,31)
InChIKeyIXRDGVCYNDYQBC-UHFFFAOYSA-N
XLogP15.29
TPSA324.99 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.31
LogP ≤ 515.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide with MolForge

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Related Compounds

5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562837
1-(cyclohexylmethyl)-5-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-sulfonamide
CID 70913773
5-(3-tert-butyl-4-morpholin-4-ylsulfonylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70914900
5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-N-(2,2-dimethyl-3-methylsulfonylpropyl)-2-methylpyrrole-3-carboxamide
CID 159155665
5-(8-tert-butyl-4-methoxy-4-methyl-2,3-dihydrochromen-6-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 66562640
5-[3-tert-butyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-(oxan-4-ylmethyl)pyrrole-3-sulfonamide
CID 70913837
5-(7-tert-butyl-3-methyl-2H-indazol-5-yl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide
CID 70913763
5-[3-tert-butyl-4-(ethylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylpyrrole-3-sulfonamide
CID 70913452
5-[4-(tert-butylsulfamoyl)-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-N-[(4-ethylsulfonylphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 118539245
1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 123508986
3-tert-butyl-5-[1-(cyclohexylmethyl)-5-methyl-4-sulfamoylpyrrol-2-yl]benzamide
CID 70913607
2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 159571538

Frequently Asked Questions

What is the IUPAC name of 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide (CID 158836226) is 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide is Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1.Cc1c(S(N)(=O)=O)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c(C3(C)CC3)c2)n1CC1CCCCC1.
What is the InChIKey of 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
The InChIKey is IXRDGVCYNDYQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O4S2.C26H39N3O4S2.C26H41N3O4S2/c1-19-25(35(28,31)32)17-23(30(19)18-20-12-10-9-11-13-20)21-14-15-24(22(16-21)26(2,3)4)36(33,34)29(8)27(5,6)7;1-18-24(34(27,30)31)16-22(29(18)17-19-9-7-6-8-10-19)20-11-12-23(21(15-20)26(5)13-14-26)35(32,33)28-25(2,3)4;1-18-24(34(27,30)31)16-22(29(18)17-19-11-9-8-10-12-19)20-13-14-23(21(15-20)25(2,3)4)35(32,33)28-26(5,6)7/h14-17,20H,9-13,18H2,1-8H3,(H2,28,31,32);11-12,15-16,19,28H,6-10,13-14,17H2,1-5H3,(H2,27,30,31);13-16,19,28H,8-12,17H2,1-7H3,(H2,27,30,31).
What are the key properties of 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide?
5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide has a molecular weight of 1583.31 g/mol, XLogP of 15.29, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-tert-butyl-4-[tert-butyl(methyl)sulfamoyl]phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[3-tert-butyl-4-(tert-butylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide;5-[4-(tert-butylsulfamoyl)-3-(1-methylcyclopropyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 158836226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).