3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide

C11H12ClNO3S — CID 115638669

IUPAC3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C11H12ClNO3S/c1-8(12)7-13-17(15,16)11-5-3-4-10(6-11)9(2)14/h3-6,13H,1,7H2,2H3
InChIKeyNMLCSGBQSOBTJM-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.92
Rot. Bonds5

About 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide

3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide (PubChem CID 115638669) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
PubChem CID115638669
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C11H12ClNO3S/c1-8(12)7-13-17(15,16)11-5-3-4-10(6-11)9(2)14/h3-6,13H,1,7H2,2H3
InChIKeyNMLCSGBQSOBTJM-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834850
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide (CID 115638669) is 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide?
The InChIKey is NMLCSGBQSOBTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-8(12)7-13-17(15,16)11-5-3-4-10(6-11)9(2)14/h3-6,13H,1,7H2,2H3.
What are the key properties of 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide?
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide has a molecular weight of 273.74 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 115638669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).