3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide

C14H10ClFN2O2S — CID 126574533

IUPAC3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O2S/c15-13-6-9(21(17,19)20)2-4-10(13)12-7-18-14-5-8(16)1-3-11(12)14/h1-7,18H,(H2,17,19,20)
InChIKeyRARWAEUZNOSPIV-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.27
Rot. Bonds2

About 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide

3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide (PubChem CID 126574533) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
PubChem CID126574533
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O2S/c15-13-6-9(21(17,19)20)2-4-10(13)12-7-18-14-5-8(16)1-3-11(12)14/h1-7,18H,(H2,17,19,20)
InChIKeyRARWAEUZNOSPIV-UHFFFAOYSA-N
XLogP3.27
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide;oxolane
CID 145257869
N-(2-aminoethyl)-2-chloro-5-(6-fluoro-1H-indol-3-yl)benzenesulfonamide
CID 126574745
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
(3S,4R)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 126584248
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 135285794
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide (CID 126574533) is 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2c[nH]c3cc(F)ccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is RARWAEUZNOSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c15-13-6-9(21(17,19)20)2-4-10(13)12-7-18-14-5-8(16)1-3-11(12)14/h1-7,18H,(H2,17,19,20).
What are the key properties of 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide?
3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 324.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-fluoro-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 126574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).