2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide

C16H17ClN2O3S — CID 110293759

IUPAC2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-15-6-2-1-5-14(15)16(20)19-11-3-4-12-7-9-13(10-8-12)23(18,21)22/h1-2,5-10H,3-4,11H2,(H,19,20)(H2,18,21,22)
InChIKeySUSOXEHECJQUMR-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.35
Rot. Bonds6

About 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide

2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (PubChem CID 110293759) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
PubChem CID110293759
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-15-6-2-1-5-14(15)16(20)19-11-3-4-12-7-9-13(10-8-12)23(18,21)22/h1-2,5-10H,3-4,11H2,(H,19,20)(H2,18,21,22)
InChIKeySUSOXEHECJQUMR-UHFFFAOYSA-N
XLogP2.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154116463
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 110310771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide (CID 110293759) is 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide is NS(=O)(=O)c1ccc(CCCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The InChIKey is SUSOXEHECJQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-15-6-2-1-5-14(15)16(20)19-11-3-4-12-7-9-13(10-8-12)23(18,21)22/h1-2,5-10H,3-4,11H2,(H,19,20)(H2,18,21,22).
What are the key properties of 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide is sourced from PubChem (CID 110293759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).