4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide

C16H18ClNO2S — CID 28719478

IUPAC4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-2-13-3-7-15(8-4-13)18-21(19,20)16-9-5-14(6-10-16)11-12-17/h3-10,18H,2,11-12H2,1H3
InChIKeyALOQXTRUSUCFGA-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.83
Rot. Bonds6

About 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide

4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 28719478) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID28719478
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-2-13-3-7-15(8-4-13)18-21(19,20)16-9-5-14(6-10-16)11-12-17/h3-10,18H,2,11-12H2,1H3
InChIKeyALOQXTRUSUCFGA-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-(2-chloroethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 65029570
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide (CID 28719478) is 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is ALOQXTRUSUCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-2-13-3-7-15(8-4-13)18-21(19,20)16-9-5-14(6-10-16)11-12-17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide?
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 28719478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).