2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide

C14H13Cl2NO2S — CID 65031108

IUPAC2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCCl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-9-11-5-7-12(8-6-11)17-20(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyRYRURADCSWQGMA-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.92
Rot. Bonds5

About 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide

2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide (PubChem CID 65031108) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
PubChem CID65031108
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCCl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-9-11-5-7-12(8-6-11)17-20(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyRYRURADCSWQGMA-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.92
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

2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87732153
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964
N-[4-[2-[2-[(4-aminocyclohexyl)amino]pyrimidin-5-yl]ethyl]phenyl]-2-chlorobenzenesulfonamide
CID 147997776
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide (CID 65031108) is 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCCl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide?
The InChIKey is RYRURADCSWQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-10-9-11-5-7-12(8-6-11)17-20(18,19)14-4-2-1-3-13(14)16/h1-8,17H,9-10H2.
What are the key properties of 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide?
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 65031108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).