N-(1H-benzimidazol-2-yl)propane-1-sulfonamide

C10H13N3O2S — CID 63564270

IUPACN-(1H-benzimidazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O2S/c1-2-7-16(14,15)13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H2,11,12,13)
InChIKeyJOJRNVOOUUJWBM-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.71
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)propane-1-sulfonamide

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide (PubChem CID 63564270) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)propane-1-sulfonamide
PubChem CID63564270
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-(1H-benzimidazol-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3O2S/c1-2-7-16(14,15)13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H2,11,12,13)
InChIKeyJOJRNVOOUUJWBM-UHFFFAOYSA-N
XLogP1.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
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1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
ethane;N-propyl-1H-benzimidazol-2-amine
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N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
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N-tert-butyl-1H-benzimidazol-2-amine
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N-pentyl-1H-benzimidazol-2-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)propane-1-sulfonamide (CID 63564270) is N-(1H-benzimidazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)propane-1-sulfonamide?
The InChIKey is JOJRNVOOUUJWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-7-16(14,15)13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H2,11,12,13).
What are the key properties of N-(1H-benzimidazol-2-yl)propane-1-sulfonamide?
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 63564270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).