4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

C18H19ClN2O3S — CID 9416108

IUPAC4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-4-9-20-25(23,24)17-11-14(6-8-16(17)19)18(22)21-15-7-5-12(2)13(3)10-15/h4-8,10-11,20H,1,9H2,2-3H3,(H,21,22)
InChIKeyMBUMKOXVNOVCKW-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9416108) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9416108
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-4-9-20-25(23,24)17-11-14(6-8-16(17)19)18(22)21-15-7-5-12(2)13(3)10-15/h4-8,10-11,20H,1,9H2,2-3H3,(H,21,22)
InChIKeyMBUMKOXVNOVCKW-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)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-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
CID 9441812
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9495516
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126416752
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 35893373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 9416108) is 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is MBUMKOXVNOVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-4-9-20-25(23,24)17-11-14(6-8-16(17)19)18(22)21-15-7-5-12(2)13(3)10-15/h4-8,10-11,20H,1,9H2,2-3H3,(H,21,22).
What are the key properties of 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 378.88 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9416108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).