4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide

C18H24N2O4S2 — CID 26951380

IUPAC4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-12-10-14(18(3,4)5)11-13(2)17(12)26(23,24)20-15-6-8-16(9-7-15)25(19,21)22/h6-11,20H,1-5H3,(H2,19,21,22)
InChIKeyZEPIEFWRZHBHJO-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.05
Rot. Bonds4

About 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide

4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 26951380) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID26951380
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-12-10-14(18(3,4)5)11-13(2)17(12)26(23,24)20-15-6-8-16(9-7-15)25(19,21)22/h6-11,20H,1-5H3,(H2,19,21,22)
InChIKeyZEPIEFWRZHBHJO-UHFFFAOYSA-N
XLogP3.05
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 139292939
1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
CID 55521125
3,4-dimethyl-5-[(4-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 7516340
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
3,5-diamino-N-[4-(dimethylamino)phenyl]-2,4,6-trimethylbenzenesulfonamide;3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 159346284
2,6-dichloro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 5089316
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
p-t-Butylbenzenesulfonamide potassium
CID 66748434
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 26951380) is 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is ZEPIEFWRZHBHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-12-10-14(18(3,4)5)11-13(2)17(12)26(23,24)20-15-6-8-16(9-7-15)25(19,21)22/h6-11,20H,1-5H3,(H2,19,21,22).
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 26951380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).