N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide

C22H20FN3O4S — CID 50796873

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C22H20FN3O4S/c1-14-9-10-15(23)11-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h4-13,24H,1-3H3
InChIKeyJFYSITYEIVQUDT-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.92
Rot. Bonds5

About N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 50796873) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID50796873
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C22H20FN3O4S/c1-14-9-10-15(23)11-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h4-13,24H,1-3H3
InChIKeyJFYSITYEIVQUDT-UHFFFAOYSA-N
XLogP3.92
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 35397514
CID 35397514
CID 50796983
CID 50796983
CID 91808036
CID 91808036
CID 50796602
CID 50796602
CID 46228525
CID 46228525
CID 46228819
CID 46228819
CID 46228855
CID 46228855
CID 50796734
CID 50796734
CID 50796762
CID 50796762
CID 50796790
CID 50796790
CID 50796792
CID 50796792
CID 50820637
CID 50820637

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 50796873) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JFYSITYEIVQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-14-9-10-15(23)11-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h4-13,24H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 441.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 50796873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).