N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide

C16H15ClN2O3S — CID 19258058

IUPACN-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h2-10,18H,1,11H2,(H,19,20)
InChIKeySFKRWSVFCJARCW-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.06
Rot. Bonds6

About N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 19258058) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID19258058
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h2-10,18H,1,11H2,(H,19,20)
InChIKeySFKRWSVFCJARCW-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

4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 55554211
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 19258058) is N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is SFKRWSVFCJARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-2-11-18-23(21,22)13-9-7-12(8-10-13)16(20)19-15-6-4-3-5-14(15)17/h2-10,18H,1,11H2,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)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 N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 19258058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).