2-ethyl-3H-benzimidazole-5-sulfonamide

C9H11N3O2S — CID 60649079

IUPAC2-ethyl-3H-benzimidazole-5-sulfonamide
SMILESCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1
InChIInChI=1S/C9H11N3O2S/c1-2-9-11-7-4-3-6(15(10,13)14)5-8(7)12-9/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyWVNQPCZQJYVHGR-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.77
Rot. Bonds2

About 2-ethyl-3H-benzimidazole-5-sulfonamide

2-ethyl-3H-benzimidazole-5-sulfonamide (PubChem CID 60649079) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-ethyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-3H-benzimidazole-5-sulfonamide
PubChem CID60649079
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name2-ethyl-3H-benzimidazole-5-sulfonamide
SMILESCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1
InChIInChI=1S/C9H11N3O2S/c1-2-9-11-7-4-3-6(15(10,13)14)5-8(7)12-9/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyWVNQPCZQJYVHGR-UHFFFAOYSA-N
XLogP0.77
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
2-(aminomethyl)-3H-benzimidazole-5-sulfonate
CID 153436267
[6-[[2-(hydroxymethyl)-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazol-2-yl]methanol
CID 1080107
(3S,4R)-3-hydroxy-N,4-dimethyl-5-(6-sulfamoyl-1H-benzimidazol-2-yl)pentanamide
CID 118374764
2-methyl-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)propan-2-amine
CID 64671829
2-(hydroxymethyl)-3H-benzimidazole-5-sulfonic acid chloride
CID 43829262
2-(2-ethyl-3H-benzimidazol-5-yl)butan-1-amine
CID 82493436
2-[(2-ethyl-2-methoxybutyl)amino]-3H-benzimidazole-5-sulfonamide
CID 166243563
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
N-(2-ethyl-3H-benzimidazol-5-yl)butane-1-sulfonamide
CID 110779021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-3H-benzimidazole-5-sulfonamide (CID 60649079) is 2-ethyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-3H-benzimidazole-5-sulfonamide is CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1.
What is the InChIKey of 2-ethyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is WVNQPCZQJYVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-2-9-11-7-4-3-6(15(10,13)14)5-8(7)12-9/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-ethyl-3H-benzimidazole-5-sulfonamide?
2-ethyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 60649079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).