N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide

C16H18N4O3S — CID 50950378

IUPACN-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2c(CCCO)nc3ccccc32)cn1
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)19-15-9-8-12(11-17-15)20-14-6-3-2-5-13(14)18-16(20)7-4-10-21/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,17,19)
InChIKeyABSZHPKNURAEPO-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.72
Rot. Bonds6

About N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide

N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 50950378) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
PubChem CID50950378
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-n2c(CCCO)nc3ccccc32)cn1
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)19-15-9-8-12(11-17-15)20-14-6-3-2-5-13(14)18-16(20)7-4-10-21/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,17,19)
InChIKeyABSZHPKNURAEPO-UHFFFAOYSA-N
XLogP1.72
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide (CID 50950378) is N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-n2c(CCCO)nc3ccccc32)cn1.
What is the InChIKey of N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is ABSZHPKNURAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-24(22,23)19-15-9-8-12(11-17-15)20-14-6-3-2-5-13(14)18-16(20)7-4-10-21/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,17,19).
What are the key properties of N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide?
N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 50950378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).