N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide

C14H15N3O3S — CID 110760391

IUPACN-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3ccco3)ccc2n1C
InChIInChI=1S/C14H15N3O3S/c1-10-16-13-8-12(5-6-14(13)17(10)2)21(18,19)15-9-11-4-3-7-20-11/h3-8,15H,9H2,1-2H3
InChIKeyWNZDIKSGGWKUIC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.95
Rot. Bonds4

About N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide

N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide (PubChem CID 110760391) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
PubChem CID110760391
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCc3ccco3)ccc2n1C
InChIInChI=1S/C14H15N3O3S/c1-10-16-13-8-12(5-6-14(13)17(10)2)21(18,19)15-9-11-4-3-7-20-11/h3-8,15H,9H2,1-2H3
InChIKeyWNZDIKSGGWKUIC-UHFFFAOYSA-N
XLogP1.95
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
CID 4067948
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
CID 110760445
N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104479

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide (CID 110760391) is N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)NCc3ccco3)ccc2n1C.
What is the InChIKey of N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is WNZDIKSGGWKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-16-13-8-12(5-6-14(13)17(10)2)21(18,19)15-9-11-4-3-7-20-11/h3-8,15H,9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide?
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).