N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide

C9H10N4O2S — CID 50963818

IUPACN-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H10N4O2S/c1-16(14,15)12-9-3-2-8(6-11-9)13-5-4-10-7-13/h2-7H,1H3,(H,11,12)
InChIKeyZKQMQYLGICUUMN-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.64
Rot. Bonds3

About N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide

N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide (PubChem CID 50963818) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide
PubChem CID50963818
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC NameN-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H10N4O2S/c1-16(14,15)12-9-3-2-8(6-11-9)13-5-4-10-7-13/h2-7H,1H3,(H,11,12)
InChIKeyZKQMQYLGICUUMN-UHFFFAOYSA-N
XLogP0.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide?
The IUPAC name of N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide (CID 50963818) is N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(-n2ccnc2)cn1.
What is the InChIKey of N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide?
The InChIKey is ZKQMQYLGICUUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-16(14,15)12-9-3-2-8(6-11-9)13-5-4-10-7-13/h2-7H,1H3,(H,11,12).
What are the key properties of N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide?
N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazol-1-yl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 50963818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).