N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide

C15H14ClNO3S — CID 43339100

IUPACN-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-2-21(19,20)17-14-8-6-11(7-9-14)15(18)12-4-3-5-13(16)10-12/h3-10,17H,2H2,1H3
InChIKeyKOSGNRUWXKXXDI-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide

N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide (PubChem CID 43339100) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
PubChem CID43339100
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-2-21(19,20)17-14-8-6-11(7-9-14)15(18)12-4-3-5-13(16)10-12/h3-10,17H,2H2,1H3
InChIKeyKOSGNRUWXKXXDI-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
CID 110670204
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
3-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87731949
N-[4-(2-ethylbutanoyl)phenyl]ethanesulfonamide
CID 43161166
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide (CID 43339100) is N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide?
The InChIKey is KOSGNRUWXKXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-21(19,20)17-14-8-6-11(7-9-14)15(18)12-4-3-5-13(16)10-12/h3-10,17H,2H2,1H3.
What are the key properties of N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide?
N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 43339100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).