N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide

C17H15ClN2O3S — CID 27005856

IUPACN-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(10-15)17(21)20-14-8-7-12(2)16(18)11-14/h1,4-8,10-11,19H,9H2,2H3,(H,20,21)
InChIKeySLRPAINKUKVQTO-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.81
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide

N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27005856) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27005856
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(10-15)17(21)20-14-8-7-12(2)16(18)11-14/h1,4-8,10-11,19H,9H2,2H3,(H,20,21)
InChIKeySLRPAINKUKVQTO-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55948886
3-(prop-2-ynylsulfamoyl)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55813841
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-(butylsulfamoyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 17226748
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 8006710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 27005856) is N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is SLRPAINKUKVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-3-9-19-24(22,23)15-6-4-5-13(10-15)17(21)20-14-8-7-12(2)16(18)11-14/h1,4-8,10-11,19H,9H2,2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 362.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27005856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).