4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide

C16H18ClNO2S — CID 22200952

IUPAC4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-3-13-4-6-14(7-5-13)12(2)18-21(19,20)16-10-8-15(17)9-11-16/h4-12,18H,3H2,1-2H3
InChIKeyUGBJUIYRBNPDQT-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.94
Rot. Bonds5

About 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide

4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide (PubChem CID 22200952) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
PubChem CID22200952
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-3-13-4-6-14(7-5-13)12(2)18-21(19,20)16-10-8-15(17)9-11-16/h4-12,18H,3H2,1-2H3
InChIKeyUGBJUIYRBNPDQT-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
3-bromo-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 60639559
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
4-ethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide (CID 22200952) is 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide is CCc1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is UGBJUIYRBNPDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-13-4-6-14(7-5-13)12(2)18-21(19,20)16-10-8-15(17)9-11-16/h4-12,18H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22200952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).