N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

C12H17N3O2S — CID 62669154

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-8(2)18(16,17)15-9(3)12-13-10-6-4-5-7-11(10)14-12/h4-9,15H,1-3H3,(H,13,14)
InChIKeyWMTKRQLRZGZBSY-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide

N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 62669154) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
PubChem CID62669154
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3O2S/c1-8(2)18(16,17)15-9(3)12-13-10-6-4-5-7-11(10)14-12/h4-9,15H,1-3H3,(H,13,14)
InChIKeyWMTKRQLRZGZBSY-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine
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N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
2-propan-2-yl-1H-benzimidazole
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N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
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CID 60620350

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide (CID 62669154) is N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is CC(NS(=O)(=O)C(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is WMTKRQLRZGZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(2)18(16,17)15-9(3)12-13-10-6-4-5-7-11(10)14-12/h4-9,15H,1-3H3,(H,13,14).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 62669154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).