6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide

C15H9ClFN3O2S2 — CID 135187131

IUPAC6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc2scnc2cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H9ClFN3O2S2/c16-8-1-2-9-11(3-8)18-6-15(9)24(21,22)20-12-5-14-13(4-10(12)17)19-7-23-14/h1-7,18,20H
InChIKeyGGVLNSXCVYTYDF-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.37
Rot. Bonds3

About 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide

6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide (PubChem CID 135187131) has the molecular formula C15H9ClFN3O2S2 and a molecular weight of 381.84 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide
PubChem CID135187131
Molecular FormulaC15H9ClFN3O2S2
Molecular Weight381.84 g/mol
Exact Mass380.98
IUPAC Name6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cc2scnc2cc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H9ClFN3O2S2/c16-8-1-2-9-11(3-8)18-6-15(9)24(21,22)20-12-5-14-13(4-10(12)17)19-7-23-14/h1-7,18,20H
InChIKeyGGVLNSXCVYTYDF-UHFFFAOYSA-N
XLogP4.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide (CID 135187131) is 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1cc2scnc2cc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide?
The InChIKey is GGVLNSXCVYTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2S2/c16-8-1-2-9-11(3-8)18-6-15(9)24(21,22)20-12-5-14-13(4-10(12)17)19-7-23-14/h1-7,18,20H.
What are the key properties of 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide has a molecular weight of 381.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-fluoro-1,3-benzothiazol-6-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135187131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).