4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide

C15H15ClN2O3S — CID 9104371

IUPAC4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide
SMILESCc1ccccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClN2O3S/c1-10-4-2-3-5-12(10)9-18-15(19)11-6-7-13(16)14(8-11)22(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyKECVQWXZXRDPJD-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.23
Rot. Bonds4

About 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide

4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide (PubChem CID 9104371) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide
PubChem CID9104371
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide
SMILESCc1ccccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClN2O3S/c1-10-4-2-3-5-12(10)9-18-15(19)11-6-7-13(16)14(8-11)22(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyKECVQWXZXRDPJD-UHFFFAOYSA-N
XLogP2.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide (CID 9104371) is 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide is Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is KECVQWXZXRDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-10-4-2-3-5-12(10)9-18-15(19)11-6-7-13(16)14(8-11)22(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide?
4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 338.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methylphenyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 9104371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).