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

C14H13Cl2NO2S — CID 43662747

IUPAC4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CCCl)cc1
InChIInChI=1S/C14H13Cl2NO2S/c15-10-9-11-1-7-14(8-2-11)20(18,19)17-13-5-3-12(16)4-6-13/h1-8,17H,9-10H2
InChIKeyPHRQXJOVCJQXKQ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.92
Rot. Bonds5

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

4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 43662747) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID43662747
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CCCl)cc1
InChIInChI=1S/C14H13Cl2NO2S/c15-10-9-11-1-7-14(8-2-11)20(18,19)17-13-5-3-12(16)4-6-13/h1-8,17H,9-10H2
InChIKeyPHRQXJOVCJQXKQ-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

4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-(3-aminopropyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060775
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide (CID 43662747) is 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is PHRQXJOVCJQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-10-9-11-1-7-14(8-2-11)20(18,19)17-13-5-3-12(16)4-6-13/h1-8,17H,9-10H2.
What are the key properties of 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide?
4-(2-chloroethyl)-N-(4-chlorophenyl)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 4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43662747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).