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

C16H18ClNO3S — CID 56690501

IUPAC4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-15(16)18-22(19,20)14-9-7-13(8-10-14)11-12-17/h3-10,18H,2,11-12H2,1H3
InChIKeyJBYFWPAOTKFBIP-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.67
Rot. Bonds7

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

4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide (PubChem CID 56690501) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
PubChem CID56690501
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-15(16)18-22(19,20)14-9-7-13(8-10-14)11-12-17/h3-10,18H,2,11-12H2,1H3
InChIKeyJBYFWPAOTKFBIP-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
4-hexyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 84552349
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide (CID 56690501) is 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
The InChIKey is JBYFWPAOTKFBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-15(16)18-22(19,20)14-9-7-13(8-10-14)11-12-17/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide?
4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 56690501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).