4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H20N2O4S2 — CID 3683067

IUPAC4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-16(2,3)12-4-8-15(9-5-12)24(21,22)18-13-6-10-14(11-7-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
InChIKeyYYGQCFRBGJXGDB-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.43
Rot. Bonds4

About 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide

4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 3683067) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID3683067
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-16(2,3)12-4-8-15(9-5-12)24(21,22)18-13-6-10-14(11-7-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
InChIKeyYYGQCFRBGJXGDB-UHFFFAOYSA-N
XLogP2.43
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4'-Amino-1,1'-biphenyl-4-sulfonamide
CID 4961927
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
N-Biphenyl-2-yl-4-methyl-benzenesulfonamide
CID 818647
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
CID 2843133
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
N-(ethylmercury)-p-toluenesulphonanilide
CID 10598
Benzenesulfono-o-toluidide
CID 87657
N-(4-Aminophenyl)-4-methylbenzenesulfonamide
CID 458884
Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-
CID 77180

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 3683067) is 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is YYGQCFRBGJXGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-16(2,3)12-4-8-15(9-5-12)24(21,22)18-13-6-10-14(11-7-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20).
What are the key properties of 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 3683067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).