N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide

C22H20FN3O4S — CID 50796897

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C22H20FN3O4S/c1-14-9-10-16(11-17(14)23)31(28,29)24-18-12-19-20(26(3)22(27)25(19)2)13-21(18)30-15-7-5-4-6-8-15/h4-13,24H,1-3H3
InChIKeyYMPAZBDCVIJUGO-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.92
Rot. Bonds5

About N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide (PubChem CID 50796897) 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)-3-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
PubChem CID50796897
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C22H20FN3O4S/c1-14-9-10-16(11-17(14)23)31(28,29)24-18-12-19-20(26(3)22(27)25(19)2)13-21(18)30-15-7-5-4-6-8-15/h4-13,24H,1-3H3
InChIKeyYMPAZBDCVIJUGO-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

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-difluorobenzenesulfonamide
CID 50796821
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 50796868
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 118909781
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
CID 50792964
1-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797513
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
CID 50793045
N-(5-chloro-2-phenoxyphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 9172981
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 50772882
N-[1,3-dimethyl-6-[3-[4-(methylamino)butoxy]-5-propoxyphenoxy]-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896837

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide (CID 50796897) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide?
The InChIKey is YMPAZBDCVIJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-14-9-10-16(11-17(14)23)31(28,29)24-18-12-19-20(26(3)22(27)25(19)2)13-21(18)30-15-7-5-4-6-8-15/h4-13,24H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-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)-3-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 50796897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).