2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide

C10H12N4O2S — CID 115119285

IUPAC2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide
SMILESCN(c1ccc[nH]1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H12N4O2S/c1-14(9-5-3-6-12-9)17(15,16)8-4-2-7-13-10(8)11/h2-7,12H,1H3,(H2,11,13)
InChIKeyKSNBQCCGJIFRTI-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide

2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide (PubChem CID 115119285) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide
PubChem CID115119285
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide
SMILESCN(c1ccc[nH]1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C10H12N4O2S/c1-14(9-5-3-6-12-9)17(15,16)8-4-2-7-13-10(8)11/h2-7,12H,1H3,(H2,11,13)
InChIKeyKSNBQCCGJIFRTI-UHFFFAOYSA-N
XLogP0.82
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide (CID 115119285) is 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide is CN(c1ccc[nH]1)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide?
The InChIKey is KSNBQCCGJIFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-14(9-5-3-6-12-9)17(15,16)8-4-2-7-13-10(8)11/h2-7,12H,1H3,(H2,11,13).
What are the key properties of 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide?
2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1H-pyrrol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115119285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).