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

C15H14ClNO3S — CID 43339023

IUPACN-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-21(19,20)17-14-8-4-12(5-9-14)15(18)10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeyXASMSZVZABUTOJ-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.14
Rot. Bonds5

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

N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide (PubChem CID 43339023) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
PubChem CID43339023
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-21(19,20)17-14-8-4-12(5-9-14)15(18)10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeyXASMSZVZABUTOJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methanesulfonamido)benzamide
CID 3691237
N-ethyl-2-[4-(methanesulfonamido)phenyl]acetamide
CID 60747826
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 53407120
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
[4-[2-(4-chlorophenyl)acetyl]phenyl] methyl carbonate
CID 146593862

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide (CID 43339023) is N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide?
The InChIKey is XASMSZVZABUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-21(19,20)17-14-8-4-12(5-9-14)15(18)10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3.
What are the key properties of N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide?
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 43339023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).