N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide

C15H14ClNO3S2 — CID 10089576

IUPACN-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClNO3S2/c1-10(18)11-7-8-13(17-22(2,19)20)15(9-11)21-14-6-4-3-5-12(14)16/h3-9,17H,1-2H3
InChIKeyWTGGPIIRJIGHND-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.07
Rot. Bonds5

About N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide

N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide (PubChem CID 10089576) has the molecular formula C15H14ClNO3S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
PubChem CID10089576
Molecular FormulaC15H14ClNO3S2
Molecular Weight355.87 g/mol
Exact Mass355.01
IUPAC NameN-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
SMILESCC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClNO3S2/c1-10(18)11-7-8-13(17-22(2,19)20)15(9-11)21-14-6-4-3-5-12(14)16/h3-9,17H,1-2H3
InChIKeyWTGGPIIRJIGHND-UHFFFAOYSA-N
XLogP4.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.07
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-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
N-[4-acetyl-2-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 10246598
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
methyl 3-chloro-4-(methanesulfonamido)benzoate
CID 91671526
1-[3-chloro-4-(2-nitrophenyl)sulfanylphenyl]ethanone
CID 62910973
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
1-[3-chloro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone
CID 63237959
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 10430237
N-[2-amino-4-(2-chlorophenyl)sulfanylphenyl]acetamide
CID 70626501
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide (CID 10089576) is N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide is CC(=O)c1ccc(NS(C)(=O)=O)c(Sc2ccccc2Cl)c1.
What is the InChIKey of N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide?
The InChIKey is WTGGPIIRJIGHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S2/c1-10(18)11-7-8-13(17-22(2,19)20)15(9-11)21-14-6-4-3-5-12(14)16/h3-9,17H,1-2H3.
What are the key properties of N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide?
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide has a molecular weight of 355.87 g/mol, XLogP of 4.07, 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-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 10089576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).