4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

C10H11ClFNO2S — CID 114616583

IUPAC4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2S/c1-7(2)6-13-16(14,15)10-4-3-8(11)5-9(10)12/h3-5,13H,1,6H2,2H3
InChIKeyJDVZCESLALMUOH-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.33
Rot. Bonds4

About 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114616583) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114616583
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO2S/c1-7(2)6-13-16(14,15)10-4-3-8(11)5-9(10)12/h3-5,13H,1,6H2,2H3
InChIKeyJDVZCESLALMUOH-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide 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

4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
propan-2-yl 3-[(4-chloro-2-fluorophenyl)sulfonylamino]propanoate
CID 47121966
3-[[(4-chloro-2-fluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 81066352
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114616583) is 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is JDVZCESLALMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c1-7(2)6-13-16(14,15)10-4-3-8(11)5-9(10)12/h3-5,13H,1,6H2,2H3.
What are the key properties of 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 263.72 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114616583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).