N,N-dimethyl-3H-benzimidazole-5-sulfonamide

C9H11N3O2S — CID 68763718

IUPACN,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11)
InChIKeyHHBVFQQGUHUCEH-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.81
Rot. Bonds2

About N,N-dimethyl-3H-benzimidazole-5-sulfonamide

N,N-dimethyl-3H-benzimidazole-5-sulfonamide (PubChem CID 68763718) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N,N-dimethyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3H-benzimidazole-5-sulfonamide
PubChem CID68763718
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN,N-dimethyl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N3O2S/c1-12(2)15(13,14)7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11)
InChIKeyHHBVFQQGUHUCEH-UHFFFAOYSA-N
XLogP0.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
potassium;3H-benzimidazole-5-sulfonic acid;hydride
CID 173083213
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
CID 131933234
3H-benzimidazol-5-yl-dimethyl-sulfanyl-λ4-sulfane
CID 91169842
amino 3H-benzimidazole-5-sulfonate
CID 57129072
N,N-diethyl-3H-benzimidazole-5-sulfonamide;heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
CID 160893165
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110869241
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
CID 139226947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3H-benzimidazole-5-sulfonamide (CID 68763718) is N,N-dimethyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3H-benzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is HHBVFQQGUHUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-12(2)15(13,14)7-3-4-8-9(5-7)11-6-10-8/h3-6H,1-2H3,(H,10,11).
What are the key properties of N,N-dimethyl-3H-benzimidazole-5-sulfonamide?
N,N-dimethyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 68763718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).