6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide

C15H16FN5O4S — CID 121415705

IUPAC6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1nnc(-n2c(=O)n(C)c3cc(F)c(S(=O)(=O)NC4(C)CC4)cc32)o1
InChIInChI=1S/C15H16FN5O4S/c1-8-17-18-13(25-8)21-11-7-12(26(23,24)19-15(2)4-5-15)9(16)6-10(11)20(3)14(21)22/h6-7,19H,4-5H2,1-3H3
InChIKeyOHDIPFFYFLKEQD-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.99
Rot. Bonds4

About 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide

6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 121415705) has the molecular formula C15H16FN5O4S and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID121415705
Molecular FormulaC15H16FN5O4S
Molecular Weight381.39 g/mol
Exact Mass381.09
IUPAC Name6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide
SMILESCc1nnc(-n2c(=O)n(C)c3cc(F)c(S(=O)(=O)NC4(C)CC4)cc32)o1
InChIInChI=1S/C15H16FN5O4S/c1-8-17-18-13(25-8)21-11-7-12(26(23,24)19-15(2)4-5-15)9(16)6-10(11)20(3)14(21)22/h6-7,19H,4-5H2,1-3H3
InChIKeyOHDIPFFYFLKEQD-UHFFFAOYSA-N
XLogP0.99
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-(difluoromethyl)-1,3,4-thiadiazolidin-2-yl]-6-fluoro-1-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 135215675
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398173
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylpyrazol-3-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 135205664
3-[5-(difluoromethyl)-1,3,4-thiadiazolidin-2-yl]-1-ethyl-6-fluoro-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 135215742
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
5-fluoro-1,3-dimethyl-6-[(1-methylcyclopropyl)amino]sulfanylbenzimidazol-2-one
CID 145103110
2-[3-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazol-1-yl]-2-(1,3-thiazol-5-yl)propanamide
CID 121416016
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
N,3-dimethyl-4-[(1-methylcyclopropyl)sulfamoyl]-2-oxobenzimidazole-1-carboxamide
CID 121416072
4-fluoro-2,6-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 107327467
3,4-difluoro-5-[(1-methylcyclopentyl)sulfamoyl]benzoic acid
CID 105113952
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide (CID 121415705) is 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide is Cc1nnc(-n2c(=O)n(C)c3cc(F)c(S(=O)(=O)NC4(C)CC4)cc32)o1.
What is the InChIKey of 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is OHDIPFFYFLKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O4S/c1-8-17-18-13(25-8)21-11-7-12(26(23,24)19-15(2)4-5-15)9(16)6-10(11)20(3)14(21)22/h6-7,19H,4-5H2,1-3H3.
What are the key properties of 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide?
6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 381.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 121415705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).