4-acetyl-N-(2-chloroethyl)benzenesulfonamide

C10H12ClNO3S — CID 61286446

IUPAC4-acetyl-N-(2-chloroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCCl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-8(13)9-2-4-10(5-3-9)16(14,15)12-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyYUUODDQSVLADMG-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.41
Rot. Bonds5

About 4-acetyl-N-(2-chloroethyl)benzenesulfonamide

4-acetyl-N-(2-chloroethyl)benzenesulfonamide (PubChem CID 61286446) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-acetyl-N-(2-chloroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-chloroethyl)benzenesulfonamide
PubChem CID61286446
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name4-acetyl-N-(2-chloroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCCl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-8(13)9-2-4-10(5-3-9)16(14,15)12-7-6-11/h2-5,12H,6-7H2,1H3
InChIKeyYUUODDQSVLADMG-UHFFFAOYSA-N
XLogP1.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
(2S)-4-[(4-acetylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934017
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-acetyl-N-[4-(3H-diazirin-3-yl)butyl]benzenesulfonamide
CID 167812884
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-chloroethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-chloroethyl)benzenesulfonamide (CID 61286446) is 4-acetyl-N-(2-chloroethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-chloroethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-chloroethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCCl)cc1.
What is the InChIKey of 4-acetyl-N-(2-chloroethyl)benzenesulfonamide?
The InChIKey is YUUODDQSVLADMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-8(13)9-2-4-10(5-3-9)16(14,15)12-7-6-11/h2-5,12H,6-7H2,1H3.
What are the key properties of 4-acetyl-N-(2-chloroethyl)benzenesulfonamide?
4-acetyl-N-(2-chloroethyl)benzenesulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-chloroethyl)benzenesulfonamide is sourced from PubChem (CID 61286446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).