4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide

C16H17ClN2O3S — CID 24641042

IUPAC4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-14(17)15(9-12)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyUWDJLIDHDRKIBO-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.36
Rot. Bonds4

About 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide

4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide (PubChem CID 24641042) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
PubChem CID24641042
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-14(17)15(9-12)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyUWDJLIDHDRKIBO-UHFFFAOYSA-N
XLogP3.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide (CID 24641042) is 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide is CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide?
The InChIKey is UWDJLIDHDRKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-14(17)15(9-12)23(18,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide?
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 24641042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).