1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide

C13H15N3O4S2 — CID 40657608

IUPAC1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
SMILESCCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C13H15N3O4S2/c1-2-16-10-4-3-8(22(14,18)19)7-9(10)15-13(16)21-11-5-6-20-12(11)17/h3-4,7,11H,2,5-6H2,1H3,(H2,14,18,19)/t11-/m1/s1
InChIKeyDHDXXIPIYBPGFF-LLVKDONJSA-N
MW341.41 g/mol
LogP1.11
Rot. Bonds4

About 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide

1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide (PubChem CID 40657608) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
PubChem CID40657608
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
SMILESCCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C13H15N3O4S2/c1-2-16-10-4-3-8(22(14,18)19)7-9(10)15-13(16)21-11-5-6-20-12(11)17/h3-4,7,11H,2,5-6H2,1H3,(H2,14,18,19)/t11-/m1/s1
InChIKeyDHDXXIPIYBPGFF-LLVKDONJSA-N
XLogP1.11
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
CID 25405502
N,N-diethyl-1-(2-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide
CID 41216797
1-ethyl-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide
CID 7488104
1-ethyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide
CID 7488379
(3R)-3-(1-benzylbenzimidazol-2-yl)sulfanyloxolan-2-one
CID 975976
1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
CID 7481486
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide
CID 7481485
butyl 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetate
CID 7488126
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
CID 46624030
1-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-sulfonamide
CID 40657595

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide (CID 40657608) is 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide is CCn1c(S[C@@H]2CCOC2=O)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide?
The InChIKey is DHDXXIPIYBPGFF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-2-16-10-4-3-8(22(14,18)19)7-9(10)15-13(16)21-11-5-6-20-12(11)17/h3-4,7,11H,2,5-6H2,1H3,(H2,14,18,19)/t11-/m1/s1.
What are the key properties of 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide?
1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3R)-2-oxooxolan-3-yl]sulfanylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 40657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).