N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide

C15H13ClN2O3S — CID 58715951

IUPACN-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-2-15(19)17-13-5-3-4-6-14(13)22(20,21)18-12-9-7-11(16)8-10-12/h2-10,18H,1H2,(H,17,19)
InChIKeyHFSGNBPAHCIDLN-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.27
Rot. Bonds5

About N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide

N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 58715951) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID58715951
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3S/c1-2-15(19)17-13-5-3-4-6-14(13)22(20,21)18-12-9-7-11(16)8-10-12/h2-10,18H,1H2,(H,17,19)
InChIKeyHFSGNBPAHCIDLN-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide 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-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483846
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
2-methyl-N-[2-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 22483839
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
CID 70115356
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
N-[4-[(2-sulfanylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 102248492
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
CID 141155435
N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
CID 168652543

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide (CID 58715951) is N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is HFSGNBPAHCIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-2-15(19)17-13-5-3-4-6-14(13)22(20,21)18-12-9-7-11(16)8-10-12/h2-10,18H,1H2,(H,17,19).
What are the key properties of N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 336.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 58715951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).