N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

C11H11N3O3S — CID 121415915

IUPACN-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)CC1
InChIInChI=1S/C11H11N3O3S/c1-11(4-5-11)14-18(16,17)7-2-3-8-9(6-7)13-10(15)12-8/h2-3,6,14H,4-5H2,1H3
InChIKeyQYULYQJUGXHCGI-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.11
Rot. Bonds3

About N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 121415915) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID121415915
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC NameN-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)CC1
InChIInChI=1S/C11H11N3O3S/c1-11(4-5-11)14-18(16,17)7-2-3-8-9(6-7)13-10(15)12-8/h2-3,6,14H,4-5H2,1H3
InChIKeyQYULYQJUGXHCGI-UHFFFAOYSA-N
XLogP-0.11
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
N-(1-methylcyclopropyl)quinazoline-6-sulfonamide
CID 176943922
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398580
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (CID 121415915) is N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is CC1(NS(=O)(=O)c2ccc3c(c2)=NC(=O)N=3)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is QYULYQJUGXHCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-11(4-5-11)14-18(16,17)7-2-3-8-9(6-7)13-10(15)12-8/h2-3,6,14H,4-5H2,1H3.
What are the key properties of N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 265.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 121415915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).