N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide

C17H15N5O2S — CID 70243846

IUPACN-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide
SMILESO=S(=O)(NC(c1ccccn1)c1ccc[nH]1)n1cnc2ccccc21
InChIInChI=1S/C17H15N5O2S/c23-25(24,22-12-20-13-6-1-2-9-16(13)22)21-17(15-8-5-11-19-15)14-7-3-4-10-18-14/h1-12,17,19,21H
InChIKeyZWMCAZCKSACSDW-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.23
Rot. Bonds5

About N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide

N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide (PubChem CID 70243846) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide
PubChem CID70243846
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide
SMILESO=S(=O)(NC(c1ccccn1)c1ccc[nH]1)n1cnc2ccccc21
InChIInChI=1S/C17H15N5O2S/c23-25(24,22-12-20-13-6-1-2-9-16(13)22)21-17(15-8-5-11-19-15)14-7-3-4-10-18-14/h1-12,17,19,21H
InChIKeyZWMCAZCKSACSDW-UHFFFAOYSA-N
XLogP2.23
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide?
The IUPAC name of N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide (CID 70243846) is N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide.
What is the SMILES notation for N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide?
The canonical SMILES for N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide is O=S(=O)(NC(c1ccccn1)c1ccc[nH]1)n1cnc2ccccc21.
What is the InChIKey of N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide?
The InChIKey is ZWMCAZCKSACSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-25(24,22-12-20-13-6-1-2-9-16(13)22)21-17(15-8-5-11-19-15)14-7-3-4-10-18-14/h1-12,17,19,21H.
What are the key properties of N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide?
N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide has a molecular weight of 353.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-2-yl(1H-pyrrol-2-yl)methyl]benzimidazole-1-sulfonamide is sourced from PubChem (CID 70243846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).