1H-benzimidazol-2-ylsulfamic acid

C7H7N3O3S — CID 59847917

IUPAC1H-benzimidazol-2-ylsulfamic acid
SMILESO=S(=O)(O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N3O3S/c11-14(12,13)10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)(H,11,12,13)
InChIKeyRZCRJRACIJEZGT-UHFFFAOYSA-N
MW213.22 g/mol
LogP0.78
Rot. Bonds2

About 1H-benzimidazol-2-ylsulfamic acid

1H-benzimidazol-2-ylsulfamic acid (PubChem CID 59847917) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylsulfamic acid.

Molecular Properties

Compound Name1H-benzimidazol-2-ylsulfamic acid
PubChem CID59847917
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC Name1H-benzimidazol-2-ylsulfamic acid
SMILESO=S(=O)(O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C7H7N3O3S/c11-14(12,13)10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)(H,11,12,13)
InChIKeyRZCRJRACIJEZGT-UHFFFAOYSA-N
XLogP0.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
CID 63564707
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylsulfamic acid?
The IUPAC name of 1H-benzimidazol-2-ylsulfamic acid (CID 59847917) is 1H-benzimidazol-2-ylsulfamic acid.
What is the SMILES notation for 1H-benzimidazol-2-ylsulfamic acid?
The canonical SMILES for 1H-benzimidazol-2-ylsulfamic acid is O=S(=O)(O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylsulfamic acid?
The InChIKey is RZCRJRACIJEZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c11-14(12,13)10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)(H,11,12,13).
What are the key properties of 1H-benzimidazol-2-ylsulfamic acid?
1H-benzimidazol-2-ylsulfamic acid has a molecular weight of 213.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylsulfamic acid is sourced from PubChem (CID 59847917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).