4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide

C12H7BrCl2FNO2S — CID 4846419

IUPAC4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-1-4-12(9(15)5-7)20(18,19)17-11-3-2-8(14)6-10(11)16/h1-6,17H
InChIKeyLLRXMSPZXJXQKT-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide

4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide (PubChem CID 4846419) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
PubChem CID4846419
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC Name4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-1-4-12(9(15)5-7)20(18,19)17-11-3-2-8(14)6-10(11)16/h1-6,17H
InChIKeyLLRXMSPZXJXQKT-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide (CID 4846419) is 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
The InChIKey is LLRXMSPZXJXQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-7-1-4-12(9(15)5-7)20(18,19)17-11-3-2-8(14)6-10(11)16/h1-6,17H.
What are the key properties of 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide has a molecular weight of 399.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 4846419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).