4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

C14H13ClFNO2S — CID 1122626

IUPAC4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2
InChIKeyXMPHDJYPWQPRNU-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.00
Rot. Bonds5

About 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 1122626) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID1122626
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2
InChIKeyXMPHDJYPWQPRNU-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
N-benzothioyl-4-chlorobenzenesulfonamide
CID 2305302
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 3465734
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
4-(2-{[(4-Chlorophenyl)sulfonyl]amino}ethyl)benzenesulfonamide
CID 2904660
N-Phenethylbenzenesulfonamide
CID 254130
N-benzhydryl-4-chlorobenzenesulfonamide
CID 985375
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 715210
1-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 2987124
N-[2-(3-chlorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 6464300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide (CID 1122626) is 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is XMPHDJYPWQPRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-12-3-7-14(8-4-12)20(18,19)17-10-9-11-1-5-13(16)6-2-11/h1-8,17H,9-10H2.
What are the key properties of 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1122626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).