N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide

C15H14ClNO3S — CID 3991135

IUPACN-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3
InChIKeyQVXSXRUJDHVRHY-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.48
Rot. Bonds5

About N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide

N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide (PubChem CID 3991135) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
PubChem CID3991135
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3
InChIKeyQVXSXRUJDHVRHY-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
CID 17257615
1-[4-[(2-chlorophenyl)methylsulfonylamino]phenyl]-3-(pyrazolidin-4-ylmethyl)urea
CID 166177338
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
1-(2-chlorophenyl)-N-(1-methylbenzimidazol-5-yl)methanesulfonamide
CID 110728613
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide (CID 3991135) is N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide is CC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide?
The InChIKey is QVXSXRUJDHVRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11(18)12-6-8-14(9-7-12)17-21(19,20)10-13-4-2-3-5-15(13)16/h2-9,17H,10H2,1H3.
What are the key properties of N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide?
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 3991135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).