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

C11H14ClNO2S — CID 114616407

IUPAC4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2S/c1-8(2)7-13-16(14,15)11-5-4-10(12)6-9(11)3/h4-6,13H,1,7H2,2-3H3
InChIKeyBFKJVCVPZPXDHD-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.50
Rot. Bonds4

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

4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114616407) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114616407
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClNO2S/c1-8(2)7-13-16(14,15)11-5-4-10(12)6-9(11)3/h4-6,13H,1,7H2,2-3H3
InChIKeyBFKJVCVPZPXDHD-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615093
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
N-(5-chloro-2-methylphenyl)-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 112998040
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114616407) is 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is BFKJVCVPZPXDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8(2)7-13-16(14,15)11-5-4-10(12)6-9(11)3/h4-6,13H,1,7H2,2-3H3.
What are the key properties of 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 259.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114616407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).