5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate

C14H11ClNO4S- — CID 5017065

IUPAC5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-]
InChIInChI=1S/C14H12ClNO4S/c1-9-2-7-12(8-13(9)14(17)18)21(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyZPYMHPJLWVFYFC-UHFFFAOYSA-M
MW324.77 g/mol
LogP1.81
Rot. Bonds4

About 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate

5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate (PubChem CID 5017065) has the molecular formula C14H11ClNO4S- and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
PubChem CID5017065
Molecular FormulaC14H11ClNO4S-
Molecular Weight324.77 g/mol
Exact Mass324.01
IUPAC Name5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-]
InChIInChI=1S/C14H12ClNO4S/c1-9-2-7-12(8-13(9)14(17)18)21(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyZPYMHPJLWVFYFC-UHFFFAOYSA-M
XLogP1.81
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
5-[[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfamoyl]-2-methylbenzoate
CID 7042288
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate (CID 5017065) is 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-].
What is the InChIKey of 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is ZPYMHPJLWVFYFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-2-7-12(8-13(9)14(17)18)21(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate?
5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 324.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 5017065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).