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

C14H13ClFNO2S — CID 18190650

IUPAC3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO2S/c15-12-5-3-6-13(10-12)20(18,19)17-9-8-11-4-1-2-7-14(11)16/h1-7,10,17H,8-9H2
InChIKeyLDIDWNXHJVRXEW-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 18190650) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID18190650
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO2S/c15-12-5-3-6-13(10-12)20(18,19)17-9-8-11-4-1-2-7-14(11)16/h1-7,10,17H,8-9H2
InChIKeyLDIDWNXHJVRXEW-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

3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
CID 81264913
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 18190650) is 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is LDIDWNXHJVRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-12-5-3-6-13(10-12)20(18,19)17-9-8-11-4-1-2-7-14(11)16/h1-7,10,17H,8-9H2.
What are the key properties of 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(2-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 3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18190650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).