N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide

C15H12N4O2S — CID 11312975

IUPACN-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
SMILESCc1cncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1
InChIInChI=1S/C15H12N4O2S/c1-10-5-12(9-17-7-10)22(20,21)19-14-4-2-3-13-11(6-16)8-18-15(13)14/h2-5,7-9,18-19H,1H3
InChIKeyYGVJPXQTIIJWJQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.54
Rot. Bonds3

About N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide

N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide (PubChem CID 11312975) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
PubChem CID11312975
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
SMILESCc1cncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1
InChIInChI=1S/C15H12N4O2S/c1-10-5-12(9-17-7-10)22(20,21)19-14-4-2-3-13-11(6-16)8-18-15(13)14/h2-5,7-9,18-19H,1H3
InChIKeyYGVJPXQTIIJWJQ-UHFFFAOYSA-N
XLogP2.54
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide (CID 11312975) is N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide is Cc1cncc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)c1.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide?
The InChIKey is YGVJPXQTIIJWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-10-5-12(9-17-7-10)22(20,21)19-14-4-2-3-13-11(6-16)8-18-15(13)14/h2-5,7-9,18-19H,1H3.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 11312975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).