5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide

C17H19ClN2O3S — CID 78785926

IUPAC5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-4-12-5-7-13(8-6-12)20-24(22,23)14-9-10-16(18)15(11-14)17(19)21/h5-11,20H,2-4H2,1H3,(H2,19,21)
InChIKeyWNRBLDGCETWYKH-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.58
Rot. Bonds7

About 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide

5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide (PubChem CID 78785926) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
PubChem CID78785926
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-3-4-12-5-7-13(8-6-12)20-24(22,23)14-9-10-16(18)15(11-14)17(19)21/h5-11,20H,2-4H2,1H3,(H2,19,21)
InChIKeyWNRBLDGCETWYKH-UHFFFAOYSA-N
XLogP3.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
CID 25331651
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56521290
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 97185318
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
CID 35546879
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide?
The IUPAC name of 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide (CID 78785926) is 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide.
What is the SMILES notation for 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide?
The canonical SMILES for 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)cc1.
What is the InChIKey of 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide?
The InChIKey is WNRBLDGCETWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-3-4-12-5-7-13(8-6-12)20-24(22,23)14-9-10-16(18)15(11-14)17(19)21/h5-11,20H,2-4H2,1H3,(H2,19,21).
What are the key properties of 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide?
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide is sourced from PubChem (CID 78785926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).