1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide

C14H18N4O3S — CID 154738785

IUPAC1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)10-7-8-18(9-10)14(19)6-5-13-16-11-3-1-2-4-12(11)17-13/h1-4,10H,5-9H2,(H,16,17)(H2,15,20,21)
InChIKeyJETCMEXBAJMUQN-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.38
Rot. Bonds4

About 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide

1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide (PubChem CID 154738785) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
PubChem CID154738785
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H18N4O3S/c15-22(20,21)10-7-8-18(9-10)14(19)6-5-13-16-11-3-1-2-4-12(11)17-13/h1-4,10H,5-9H2,(H,16,17)(H2,15,20,21)
InChIKeyJETCMEXBAJMUQN-UHFFFAOYSA-N
XLogP0.38
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 92627755
3-(1H-benzimidazol-2-yl)-1-[(3R,4S)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 134700026
1-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96581228
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
N-[(4S,5S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110158831
3-(1H-benzimidazol-2-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 42653271
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide (CID 154738785) is 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide?
The InChIKey is JETCMEXBAJMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c15-22(20,21)10-7-8-18(9-10)14(19)6-5-13-16-11-3-1-2-4-12(11)17-13/h1-4,10H,5-9H2,(H,16,17)(H2,15,20,21).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide?
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 154738785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).