2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide

C14H13ClFNO2S — CID 3861915

IUPAC2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c15-13-10-12(16)6-7-14(13)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyURGDOIBNKGBERU-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.00
Rot. Bonds5

About 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3861915) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3861915
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c15-13-10-12(16)6-7-14(13)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyURGDOIBNKGBERU-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

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Related Compounds

2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 3861915) is 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is URGDOIBNKGBERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-13-10-12(16)6-7-14(13)20(18,19)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-phenylethyl)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 2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3861915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).