6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide

C25H22F3N3O3S — CID 121283549

IUPAC6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)n(C)c2c1
InChIInChI=1S/C25H22F3N3O3S/c1-3-35(33,34)30-19-12-11-17-14-23(31(2)22(17)15-19)24(32)29-18-8-6-7-16(13-18)20-9-4-5-10-21(20)25(26,27)28/h4-15,30H,3H2,1-2H3,(H,29,32)
InChIKeyKKTFXBXLXLYPIW-UHFFFAOYSA-N
MW501.53 g/mol
LogP5.88
Rot. Bonds6

About 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide

6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide (PubChem CID 121283549) has the molecular formula C25H22F3N3O3S and a molecular weight of 501.53 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide
PubChem CID121283549
Molecular FormulaC25H22F3N3O3S
Molecular Weight501.53 g/mol
Exact Mass501.13
IUPAC Name6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)n(C)c2c1
InChIInChI=1S/C25H22F3N3O3S/c1-3-35(33,34)30-19-12-11-17-14-23(31(2)22(17)15-19)24(32)29-18-8-6-7-16(13-18)20-9-4-5-10-21(20)25(26,27)28/h4-15,30H,3H2,1-2H3,(H,29,32)
InChIKeyKKTFXBXLXLYPIW-UHFFFAOYSA-N
XLogP5.88
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.53
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide?
The IUPAC name of 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide (CID 121283549) is 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide.
What is the SMILES notation for 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide?
The canonical SMILES for 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide is CCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(-c4ccccc4C(F)(F)F)c3)n(C)c2c1.
What is the InChIKey of 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide?
The InChIKey is KKTFXBXLXLYPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3S/c1-3-35(33,34)30-19-12-11-17-14-23(31(2)22(17)15-19)24(32)29-18-8-6-7-16(13-18)20-9-4-5-10-21(20)25(26,27)28/h4-15,30H,3H2,1-2H3,(H,29,32).
What are the key properties of 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide?
6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide has a molecular weight of 501.53 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)-1-methyl-N-[3-[2-(trifluoromethyl)phenyl]phenyl]indole-2-carboxamide is sourced from PubChem (CID 121283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).