4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide

C14H10BrFN2O2S — CID 116528460

IUPAC4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-8,17-18H
InChIKeyGUHGSLOQPYVSAK-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.87
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide

4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide (PubChem CID 116528460) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide
PubChem CID116528460
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-8,17-18H
InChIKeyGUHGSLOQPYVSAK-UHFFFAOYSA-N
XLogP3.87
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide (CID 116528460) is 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide?
The InChIKey is GUHGSLOQPYVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c15-10-1-4-14(12(16)8-10)21(19,20)18-11-2-3-13-9(7-11)5-6-17-13/h1-8,17-18H.
What are the key properties of 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide?
4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 116528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).