N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide

C11H15N3O3S — CID 63564272

IUPACN-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3O3S/c1-2-17-7-8-18(15,16)14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,2,7-8H2,1H3,(H2,12,13,14)
InChIKeyRGGXMHVHPCXFHU-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.34
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide

N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide (PubChem CID 63564272) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
PubChem CID63564272
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3O3S/c1-2-17-7-8-18(15,16)14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,2,7-8H2,1H3,(H2,12,13,14)
InChIKeyRGGXMHVHPCXFHU-UHFFFAOYSA-N
XLogP1.34
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide (CID 63564272) is N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide?
The InChIKey is RGGXMHVHPCXFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-7-8-18(15,16)14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,2,7-8H2,1H3,(H2,12,13,14).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide?
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide has a molecular weight of 269.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).