N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide

C10H14N4O2S — CID 63562812

IUPACN-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4O2S/c1-11-6-7-17(15,16)14-10-12-8-4-2-3-5-9(8)13-10/h2-5,11H,6-7H2,1H3,(H2,12,13,14)
InChIKeyZOMAIZSQZLEPIT-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.52
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide

N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide (PubChem CID 63562812) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
PubChem CID63562812
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4O2S/c1-11-6-7-17(15,16)14-10-12-8-4-2-3-5-9(8)13-10/h2-5,11H,6-7H2,1H3,(H2,12,13,14)
InChIKeyZOMAIZSQZLEPIT-UHFFFAOYSA-N
XLogP0.52
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63564270
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N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
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1H-benzimidazol-2-ylsulfamic acid
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CID 63564268
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
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CID 47377841
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
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1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide (CID 63562812) is N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide?
The InChIKey is ZOMAIZSQZLEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-11-6-7-17(15,16)14-10-12-8-4-2-3-5-9(8)13-10/h2-5,11H,6-7H2,1H3,(H2,12,13,14).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide?
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 63562812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).