N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide

C11H7ClFN3O2S2 — CID 171664668

IUPACN-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c2c(Cl)c[nH]c12)c1cncs1
InChIInChI=1S/C11H7ClFN3O2S2/c12-6-3-15-11-8(2-1-7(13)10(6)11)16-20(17,18)9-4-14-5-19-9/h1-5,15-16H
InChIKeyLNUUAQVOMYFVOW-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.22
Rot. Bonds3

About N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide

N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 171664668) has the molecular formula C11H7ClFN3O2S2 and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
PubChem CID171664668
Molecular FormulaC11H7ClFN3O2S2
Molecular Weight331.78 g/mol
Exact Mass330.97
IUPAC NameN-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c2c(Cl)c[nH]c12)c1cncs1
InChIInChI=1S/C11H7ClFN3O2S2/c12-6-3-15-11-8(2-1-7(13)10(6)11)16-20(17,18)9-4-14-5-19-9/h1-5,15-16H
InChIKeyLNUUAQVOMYFVOW-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide (CID 171664668) is N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(F)c2c(Cl)c[nH]c12)c1cncs1.
What is the InChIKey of N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is LNUUAQVOMYFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O2S2/c12-6-3-15-11-8(2-1-7(13)10(6)11)16-20(17,18)9-4-14-5-19-9/h1-5,15-16H.
What are the key properties of N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 331.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171664668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).