N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide

C16H16FN3O3S — CID 110785413

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H16FN3O3S/c1-19-14-8-3-11(9-15(14)20(2)16(19)21)10-18-24(22,23)13-6-4-12(17)5-7-13/h3-9,18H,10H2,1-2H3
InChIKeyTYECWRMBPULYJV-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.49
Rot. Bonds4

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110785413) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110785413
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H16FN3O3S/c1-19-14-8-3-11(9-15(14)20(2)16(19)21)10-18-24(22,23)13-6-4-12(17)5-7-13/h3-9,18H,10H2,1-2H3
InChIKeyTYECWRMBPULYJV-UHFFFAOYSA-N
XLogP1.49
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 46971928
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-4-fluorobenzenesulfonamide
CID 138673288
ethyl 4-[[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]methyl]benzoate
CID 49456162
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
5-chloro-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 17139154
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
N-benzyl-4-fluorobenzenesulfonamide
CID 835474

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide (CID 110785413) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide is Cn1c(=O)n(C)c2cc(CNS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is TYECWRMBPULYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-19-14-8-3-11(9-15(14)20(2)16(19)21)10-18-24(22,23)13-6-4-12(17)5-7-13/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110785413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).