N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide

C14H14ClNO2S — CID 673882

IUPACN-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-13-8-6-12(7-9-13)10-11-16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11H2
InChIKeyKIDFLXCNWLKSRW-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide

N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 673882) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID673882
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H14ClNO2S/c15-13-8-6-12(7-9-13)10-11-16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11H2
InChIKeyKIDFLXCNWLKSRW-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Saclofen
CID 122150
N-benzyl-1-(2-chlorophenyl)methanesulfonamide
CID 1502244
N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-benzothioyl-4-chlorobenzenesulfonamide
CID 2305302
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 3465734
1-(Benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine
CID 7197407
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
4-(2-{[(4-Chlorophenyl)sulfonyl]amino}ethyl)benzenesulfonamide
CID 2904660
N-Phenethylbenzenesulfonamide
CID 254130
N-(3-phenylpropyl)benzenesulfonamide
CID 3600699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 673882) is N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is KIDFLXCNWLKSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-13-8-6-12(7-9-13)10-11-16-19(17,18)14-4-2-1-3-5-14/h1-9,16H,10-11H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide?
N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 673882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).