N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

C18H17F3N2O3S — CID 171786914

IUPACN,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S/c1-17(2)14-10-13(27(25,26)22-3)8-9-15(14)23(16(17)24)12-6-4-11(5-7-12)18(19,20)21/h4-10,22H,1-3H3
InChIKeyUPSXCNGKQRMSIT-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.57
Rot. Bonds3

About N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (PubChem CID 171786914) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
PubChem CID171786914
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S/c1-17(2)14-10-13(27(25,26)22-3)8-9-15(14)23(16(17)24)12-6-4-11(5-7-12)18(19,20)21/h4-10,22H,1-3H3
InChIKeyUPSXCNGKQRMSIT-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]-3H-indole-5-sulfonamide
CID 171786919
4-(3-chloro-4-fluorophenyl)-N,2,2-trimethyl-3-oxo-1,4-benzoxazine-7-sulfonamide
CID 66789880
N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 1275973
3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514593
3-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514609
3-(2,2-dimethylpropyl)-3-hydroxy-N-methyl-2-oxo-1-propan-2-ylindole-5-sulfonamide
CID 91156616
N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 177315638
4-(3-hydroxypiperidin-1-yl)-N-methyl-3-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 59793510
N-methyl-3-(1-propan-2-ylimidazol-4-yl)-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514560
2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile
CID 156558710
N-methyl-3-(4-methylpyrazol-1-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 163393297
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The IUPAC name of N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (CID 171786914) is N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.
What is the SMILES notation for N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The canonical SMILES for N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The InChIKey is UPSXCNGKQRMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-17(2)14-10-13(27(25,26)22-3)8-9-15(14)23(16(17)24)12-6-4-11(5-7-12)18(19,20)21/h4-10,22H,1-3H3.
What are the key properties of N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide has a molecular weight of 398.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-oxo-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is sourced from PubChem (CID 171786914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).