N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide

C14H12ClNO3S — CID 167626658

IUPACN-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-13-9-5-4-8-12(13)14(17)10-16-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyWZKXKVQNNCJOSB-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide

N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 167626658) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID167626658
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-13-9-5-4-8-12(13)14(17)10-16-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyWZKXKVQNNCJOSB-UHFFFAOYSA-N
XLogP2.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonamido)-N-(2,6-dichlorophenyl)acetamide
CID 113001458
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511
N-[2-(2-fluoro-5-pyrimidin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 157415689
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
CID 167641467
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 113001461
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
CID 110454056
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide (CID 167626658) is N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is WZKXKVQNNCJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-13-9-5-4-8-12(13)14(17)10-16-20(18,19)11-6-2-1-3-7-11/h1-9,16H,10H2.
What are the key properties of N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide?
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 167626658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).