1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

C12H14N4O4S — CID 168717405

IUPAC1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc2nc(N3CC(S(N)(=O)=O)CC3=O)[nH]c2c1
InChIInChI=1S/C12H14N4O4S/c1-20-7-2-3-9-10(4-7)15-12(14-9)16-6-8(5-11(16)17)21(13,18)19/h2-4,8H,5-6H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyOARDZLSCQNYDCZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.03
Rot. Bonds3

About 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717405) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717405
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1ccc2nc(N3CC(S(N)(=O)=O)CC3=O)[nH]c2c1
InChIInChI=1S/C12H14N4O4S/c1-20-7-2-3-9-10(4-7)15-12(14-9)16-6-8(5-11(16)17)21(13,18)19/h2-4,8H,5-6H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyOARDZLSCQNYDCZ-UHFFFAOYSA-N
XLogP-0.03
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 168507487
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717451
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717405) is 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is COc1ccc2nc(N3CC(S(N)(=O)=O)CC3=O)[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is OARDZLSCQNYDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-20-7-2-3-9-10(4-7)15-12(14-9)16-6-8(5-11(16)17)21(13,18)19/h2-4,8H,5-6H2,1H3,(H,14,15)(H2,13,18,19).
What are the key properties of 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 310.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-benzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).