4-tert-butyl-N-(2-sulfamoylphenyl)benzamide

C17H20N2O3S — CID 11573504

IUPAC4-tert-butyl-N-(2-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyPXSZIIQVGWAFNK-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.88
Rot. Bonds3

About 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide

4-tert-butyl-N-(2-sulfamoylphenyl)benzamide (PubChem CID 11573504) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-sulfamoylphenyl)benzamide
PubChem CID11573504
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-tert-butyl-N-(2-sulfamoylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyPXSZIIQVGWAFNK-UHFFFAOYSA-N
XLogP2.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1938971
3-[[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168269012
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-[4-(acetylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 1221316
4-tert-butyl-N-{3-[methyl(methylsulfonyl)amino]phenyl}benzamide
CID 1315938

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide (CID 11573504) is 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide?
The InChIKey is PXSZIIQVGWAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide?
4-tert-butyl-N-(2-sulfamoylphenyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 11573504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).