N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

C19H20F3N3O2S — CID 1476318

IUPACN-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H20F3N3O2S/c1-11(2)25-10-23-18-16(25)8-12(3)13(4)17(18)24-28(26,27)15-7-5-6-14(9-15)19(20,21)22/h5-11,24H,1-4H3
InChIKeyWKKQTQKKPCCGQQ-UHFFFAOYSA-N
MW411.45 g/mol
LogP5.05
Rot. Bonds4

About N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 1476318) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID1476318
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C19H20F3N3O2S/c1-11(2)25-10-23-18-16(25)8-12(3)13(4)17(18)24-28(26,27)15-7-5-6-14(9-15)19(20,21)22/h5-11,24H,1-4H3
InChIKeyWKKQTQKKPCCGQQ-UHFFFAOYSA-N
XLogP5.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474186
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
2-[3,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pyrazol-1-yl]acetic acid
CID 50959406
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 141108251
N-[5,6-dimethyl-1-[(3-methylphenyl)methyl]benzimidazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 1476366
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
CID 166206509

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 1476318) is N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WKKQTQKKPCCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-11(2)25-10-23-18-16(25)8-12(3)13(4)17(18)24-28(26,27)15-7-5-6-14(9-15)19(20,21)22/h5-11,24H,1-4H3.
What are the key properties of N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1-propan-2-ylbenzimidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1476318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).