N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide

C13H18ClNO2S — CID 115638682

IUPACN-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)8-12-4-6-13(7-5-12)18(16,17)15-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyWZGYLQHBLAVSFP-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.92
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide

N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 115638682) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID115638682
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)8-12-4-6-13(7-5-12)18(16,17)15-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyWZGYLQHBLAVSFP-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate
CID 115638561
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638542
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide (CID 115638682) is N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WZGYLQHBLAVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(2)8-12-4-6-13(7-5-12)18(16,17)15-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 115638682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).