N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide

C14H14ClNO2S — CID 42999040

IUPACN-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-11(13-9-5-6-10-14(13)15)16-19(17,18)12-7-3-2-4-8-12/h2-11,16H,1H3
InChIKeyYUWZAHQWURGUBX-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide

N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 42999040) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID42999040
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-11(13-9-5-6-10-14(13)15)16-19(17,18)12-7-3-2-4-8-12/h2-11,16H,1H3
InChIKeyYUWZAHQWURGUBX-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
CID 81377048
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55334688
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[1-(2-chlorophenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999444
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide (CID 42999040) is N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is YUWZAHQWURGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-11(13-9-5-6-10-14(13)15)16-19(17,18)12-7-3-2-4-8-12/h2-11,16H,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42999040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).