N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide

C11H15N3O2S — CID 110869331

IUPACN-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H15N3O2S/c1-4-17(15,16)14(3)9-5-6-11-10(7-9)12-8-13(11)2/h5-8H,4H2,1-3H3
InChIKeyRJAQCVCEGNPAAM-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide

N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide (PubChem CID 110869331) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
PubChem CID110869331
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc2c(c1)ncn2C
InChIInChI=1S/C11H15N3O2S/c1-4-17(15,16)14(3)9-5-6-11-10(7-9)12-8-13(11)2/h5-8H,4H2,1-3H3
InChIKeyRJAQCVCEGNPAAM-UHFFFAOYSA-N
XLogP1.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide (CID 110869331) is N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide is CCS(=O)(=O)N(C)c1ccc2c(c1)ncn2C.
What is the InChIKey of N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide?
The InChIKey is RJAQCVCEGNPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-4-17(15,16)14(3)9-5-6-11-10(7-9)12-8-13(11)2/h5-8H,4H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide?
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 110869331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).