2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide

C16H15Cl2NO3S — CID 100507319

IUPAC2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-3-10-19(14-6-4-5-7-15(14)22-2)23(20,21)16-11-12(17)8-9-13(16)18/h3-9,11H,1,10H2,2H3
InChIKeyBJCQIKPSQOTDRR-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.38
Rot. Bonds6

About 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide

2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 100507319) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID100507319
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-3-10-19(14-6-4-5-7-15(14)22-2)23(20,21)16-11-12(17)8-9-13(16)18/h3-9,11H,1,10H2,2H3
InChIKeyBJCQIKPSQOTDRR-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide 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

2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507490
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2,5-dichloro-N-(2-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 42979737
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758
N-(2-chlorophenyl)-3-fluoro-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100542077
(3,3-dimethyl-2-oxobutyl) 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42977798
(4-chlorophenyl) 4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2667252
N-(4-bromo-3-methylphenyl)-2,5-dichloro-N-prop-2-enylbenzenesulfonamide
CID 100508195
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
2-chloro-N-(4-fluorophenyl)-5-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 5156730
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide (CID 100507319) is 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is BJCQIKPSQOTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-3-10-19(14-6-4-5-7-15(14)22-2)23(20,21)16-11-12(17)8-9-13(16)18/h3-9,11H,1,10H2,2H3.
What are the key properties of 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide?
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100507319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).