N-(3-acetylphenyl)-1-chloromethanesulfonamide

C9H10ClNO3S — CID 63666365

IUPACN-(3-acetylphenyl)-1-chloromethanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H10ClNO3S/c1-7(12)8-3-2-4-9(5-8)11-15(13,14)6-10/h2-5,11H,6H2,1H3
InChIKeyNPHJVWJZKDJVKC-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.83
Rot. Bonds4

About N-(3-acetylphenyl)-1-chloromethanesulfonamide

N-(3-acetylphenyl)-1-chloromethanesulfonamide (PubChem CID 63666365) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-chloromethanesulfonamide
PubChem CID63666365
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC NameN-(3-acetylphenyl)-1-chloromethanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)CCl)c1
InChIInChI=1S/C9H10ClNO3S/c1-7(12)8-3-2-4-9(5-8)11-15(13,14)6-10/h2-5,11H,6H2,1H3
InChIKeyNPHJVWJZKDJVKC-UHFFFAOYSA-N
XLogP1.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.83
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

methyl 3-(chloromethylsulfonylamino)benzoate
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(3-acetylphenyl)sulfamic acid
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4-[(3-acetylphenyl)sulfamoyl]butanoic acid
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1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
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1-chloro-N-(3-iodophenyl)methanesulfonamide
CID 63664275
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
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N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
CID 20792319
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-chloromethanesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-chloromethanesulfonamide (CID 63666365) is N-(3-acetylphenyl)-1-chloromethanesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-chloromethanesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-chloromethanesulfonamide is CC(=O)c1cccc(NS(=O)(=O)CCl)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-chloromethanesulfonamide?
The InChIKey is NPHJVWJZKDJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-7(12)8-3-2-4-9(5-8)11-15(13,14)6-10/h2-5,11H,6H2,1H3.
What are the key properties of N-(3-acetylphenyl)-1-chloromethanesulfonamide?
N-(3-acetylphenyl)-1-chloromethanesulfonamide has a molecular weight of 247.70 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-chloromethanesulfonamide is sourced from PubChem (CID 63666365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).