N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide

C17H18FN3O3S — CID 53092093

IUPACN-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCc1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C17H18FN3O3S/c1-11-8-14-15(21(3)17(22)20(14)2)9-16(11)25(23,24)19-10-12-4-6-13(18)7-5-12/h4-9,19H,10H2,1-3H3
InChIKeyHJRSXSGULYKETP-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.80
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53092093) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID53092093
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NCc1ccc(F)cc1)n(C)c(=O)n2C
InChIInChI=1S/C17H18FN3O3S/c1-11-8-14-15(21(3)17(22)20(14)2)9-16(11)25(23,24)19-10-12-4-6-13(18)7-5-12/h4-9,19H,10H2,1-3H3
InChIKeyHJRSXSGULYKETP-UHFFFAOYSA-N
XLogP1.80
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 53092093) is N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NCc1ccc(F)cc1)n(C)c(=O)n2C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is HJRSXSGULYKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-11-8-14-15(21(3)17(22)20(14)2)9-16(11)25(23,24)19-10-12-4-6-13(18)7-5-12/h4-9,19H,10H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 363.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).