N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C13H9FN4O2S2 — CID 171055512

IUPACN-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)s1
InChIInChI=1S/C13H9FN4O2S2/c1-7-16-6-11(21-7)22(19,20)18-10-3-2-9(14)12-8(4-15)5-17-13(10)12/h2-3,5-6,17-18H,1H3
InChIKeyDHMYRYOXDBJSMA-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.74
Rot. Bonds3

About N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 171055512) has the molecular formula C13H9FN4O2S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID171055512
Molecular FormulaC13H9FN4O2S2
Molecular Weight336.37 g/mol
Exact Mass336.02
IUPAC NameN-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)s1
InChIInChI=1S/C13H9FN4O2S2/c1-7-16-6-11(21-7)22(19,20)18-10-3-2-9(14)12-8(4-15)5-17-13(10)12/h2-3,5-6,17-18H,1H3
InChIKeyDHMYRYOXDBJSMA-UHFFFAOYSA-N
XLogP2.74
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 171055512) is N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)s1.
What is the InChIKey of N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DHMYRYOXDBJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2S2/c1-7-16-6-11(21-7)22(19,20)18-10-3-2-9(14)12-8(4-15)5-17-13(10)12/h2-3,5-6,17-18H,1H3.
What are the key properties of N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).