3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C13H10BrClFNO2S — CID 106610972

IUPAC3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H10BrClFNO2S/c14-12-7-11(4-5-13(12)15)20(18,19)17-8-9-2-1-3-10(16)6-9/h1-7,17H,8H2
InChIKeyQZETUGKURXMPQT-UHFFFAOYSA-N
MW378.65 g/mol
LogP3.72
Rot. Bonds4

About 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 106610972) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID106610972
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Name3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H10BrClFNO2S/c14-12-7-11(4-5-13(12)15)20(18,19)17-8-9-2-1-3-10(16)6-9/h1-7,17H,8H2
InChIKeyQZETUGKURXMPQT-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 106610972) is 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is QZETUGKURXMPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c14-12-7-11(4-5-13(12)15)20(18,19)17-8-9-2-1-3-10(16)6-9/h1-7,17H,8H2.
What are the key properties of 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106610972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).