2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

C16H15ClN2O3S — CID 2989337

IUPAC2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17/h2-10,18H,1,11H2,(H,19,20)
InChIKeyDSBPPYQEKIVXTL-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.06
Rot. Bonds6

About 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide

2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (PubChem CID 2989337) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
PubChem CID2989337
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17/h2-10,18H,1,11H2,(H,19,20)
InChIKeyDSBPPYQEKIVXTL-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
(E)-3-(2-chlorophenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233561
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
CID 1333791
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-[4-(prop-2-enylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2990833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide (CID 2989337) is 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
The InChIKey is DSBPPYQEKIVXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)19-16(20)14-5-3-4-6-15(14)17/h2-10,18H,1,11H2,(H,19,20).
What are the key properties of 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide?
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide has a molecular weight of 350.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2989337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).