4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C15H15BrFNO2S — CID 3552130

IUPAC4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-2-12-9-13(16)6-7-15(12)21(19,20)18-10-11-4-3-5-14(17)8-11/h3-9,18H,2,10H2,1H3
InChIKeyVPNZHZRIVILSQD-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.63
Rot. Bonds5

About 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide

4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 3552130) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID3552130
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-2-12-9-13(16)6-7-15(12)21(19,20)18-10-11-4-3-5-14(17)8-11/h3-9,18H,2,10H2,1H3
InChIKeyVPNZHZRIVILSQD-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 3552130) is 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is VPNZHZRIVILSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-2-12-9-13(16)6-7-15(12)21(19,20)18-10-11-4-3-5-14(17)8-11/h3-9,18H,2,10H2,1H3.
What are the key properties of 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3552130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).