N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C13H13N3O4S — CID 110868966

IUPACN-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O4S/c1-16(7-9-4-5-20-8-9)21(18,19)10-2-3-11-12(6-10)15-13(17)14-11/h2-6,8H,7H2,1H3,(H2,14,15,17)
InChIKeyBRTZMIYRQKBFBI-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.27
Rot. Bonds4

About N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110868966) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110868966
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N3O4S/c1-16(7-9-4-5-20-8-9)21(18,19)10-2-3-11-12(6-10)15-13(17)14-11/h2-6,8H,7H2,1H3,(H2,14,15,17)
InChIKeyBRTZMIYRQKBFBI-UHFFFAOYSA-N
XLogP1.27
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
N-(furan-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 61422679
N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421942
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61422202
2-fluoro-5-[furan-3-ylmethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 63289008
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
2-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 8815647
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110868966) is N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CN(Cc1ccoc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is BRTZMIYRQKBFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-16(7-9-4-5-20-8-9)21(18,19)10-2-3-11-12(6-10)15-13(17)14-11/h2-6,8H,7H2,1H3,(H2,14,15,17).
What are the key properties of N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 307.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110868966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).