N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide

C14H19N3O3S — CID 62669156

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CCOCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-10(14-15-12-4-2-3-5-13(12)16-14)17-21(18,19)11-6-8-20-9-7-11/h2-5,10-11,17H,6-9H2,1H3,(H,15,16)
InChIKeyKBDFPHHILMNHMK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.72
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide

N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide (PubChem CID 62669156) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
PubChem CID62669156
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CCOCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-10(14-15-12-4-2-3-5-13(12)16-14)17-21(18,19)11-6-8-20-9-7-11/h2-5,10-11,17H,6-9H2,1H3,(H,15,16)
InChIKeyKBDFPHHILMNHMK-UHFFFAOYSA-N
XLogP1.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
N-[1-(1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 62669154
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 84594730
1-(1H-benzimidazol-2-yl)-N-(ethylsulfamoyl)ethanamine
CID 115638399
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide (CID 62669156) is N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide is CC(NS(=O)(=O)C1CCOCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide?
The InChIKey is KBDFPHHILMNHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10(14-15-12-4-2-3-5-13(12)16-14)17-21(18,19)11-6-8-20-9-7-11/h2-5,10-11,17H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 62669156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).