N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide

C15H14ClNO4S — CID 10246598

IUPACN-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-10(18)11-3-8-14(17-22(2,19)20)15(9-11)21-13-6-4-12(16)5-7-13/h3-9,17H,1-2H3
InChIKeyJBTINWVAFHNBOJ-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.71
Rot. Bonds5

About N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide

N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide (PubChem CID 10246598) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
PubChem CID10246598
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-10(18)11-3-8-14(17-22(2,19)20)15(9-11)21-13-6-4-12(16)5-7-13/h3-9,17H,1-2H3
InChIKeyJBTINWVAFHNBOJ-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-acetyl-2-(2,5-dichlorophenoxy)phenyl]methanesulfonamide
CID 10339350
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
2-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]-N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
CID 72725454
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
CID 10089576
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide (CID 10246598) is N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide?
The InChIKey is JBTINWVAFHNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-10(18)11-3-8-14(17-22(2,19)20)15(9-11)21-13-6-4-12(16)5-7-13/h3-9,17H,1-2H3.
What are the key properties of N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide?
N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 10246598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).