N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide

C14H13ClN2O3S — CID 26698295

IUPACN-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(6-3-10)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOYJBNOHJYMLPHZ-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.55
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide

N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide (PubChem CID 26698295) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
PubChem CID26698295
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(6-3-10)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOYJBNOHJYMLPHZ-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
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3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide (CID 26698295) is N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide?
The InChIKey is OYJBNOHJYMLPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(6-3-10)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide?
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide has a molecular weight of 324.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 26698295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).