4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide

C14H13ClN2O3S — CID 61251224

IUPAC4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyHXMQCNVCUDWKCW-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.33
Rot. Bonds4

About 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide

4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 61251224) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
PubChem CID61251224
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyHXMQCNVCUDWKCW-UHFFFAOYSA-N
XLogP2.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
4-(benzotriazol-1-ylmethyl)-N-(3-sulfamoylphenyl)benzamide
CID 9073027
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
CID 154762615
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
4-[(3-sulfamoylanilino)methyl]benzamide
CID 43761254

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide (CID 61251224) is 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(CCl)cc2)c1.
What is the InChIKey of 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is HXMQCNVCUDWKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide?
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 61251224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).