N-(3-chloro-4-fluorophenyl)benzenesulfonamide

C12H9ClFNO2S — CID 849044

IUPACN-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C12H9ClFNO2S/c13-11-8-9(6-7-12(11)14)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H
InChIKeyBWYPGLCNYADNPO-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.28
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)benzenesulfonamide

N-(3-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 849044) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID849044
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC NameN-(3-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C12H9ClFNO2S/c13-11-8-9(6-7-12(11)14)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H
InChIKeyBWYPGLCNYADNPO-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)benzenesulfonamide (CID 849044) is N-(3-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is BWYPGLCNYADNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-11-8-9(6-7-12(11)14)15-18(16,17)10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of N-(3-chloro-4-fluorophenyl)benzenesulfonamide?
N-(3-chloro-4-fluorophenyl)benzenesulfonamide has a molecular weight of 285.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 849044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).