2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide

C12H12N4O2S — CID 106546424

IUPAC2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccnc2C#N)c1
InChIInChI=1S/C12H12N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-6,9,15H,8H2,1H3
InChIKeyYYZZJQDKMPURLH-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.77
Rot. Bonds4

About 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 106546424) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID106546424
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccnc2C#N)c1
InChIInChI=1S/C12H12N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-6,9,15H,8H2,1H3
InChIKeyYYZZJQDKMPURLH-UHFFFAOYSA-N
XLogP0.77
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 106545740
2-cyano-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106546673
2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545345
2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782630
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
2-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 106595671
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 103723821
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 106545089
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide (CID 106546424) is 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide is Cn1ccc(CNS(=O)(=O)c2cccnc2C#N)c1.
What is the InChIKey of 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is YYZZJQDKMPURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-16-6-4-10(9-16)8-15-19(17,18)12-3-2-5-14-11(12)7-13/h2-6,9,15H,8H2,1H3.
What are the key properties of 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106546424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).