N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide

C26H20F5N3O4S — CID 56951378

IUPACN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1C(F)(F)F
InChIInChI=1S/C26H20F5N3O4S/c1-13-9-18-21(11-19(13)26(29,30)31)34(12-14-10-15(27)4-7-20(14)28)23(22(18)17-3-2-8-32-24(17)35)25(36)33-39(37,38)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,32,35)(H,33,36)
InChIKeyYDEWBZMUGXFDLZ-UHFFFAOYSA-N
MW565.52 g/mol
LogP4.87
Rot. Bonds6

About N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide

N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide (PubChem CID 56951378) has the molecular formula C26H20F5N3O4S and a molecular weight of 565.52 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide
PubChem CID56951378
Molecular FormulaC26H20F5N3O4S
Molecular Weight565.52 g/mol
Exact Mass565.11
IUPAC NameN-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1C(F)(F)F
InChIInChI=1S/C26H20F5N3O4S/c1-13-9-18-21(11-19(13)26(29,30)31)34(12-14-10-15(27)4-7-20(14)28)23(22(18)17-3-2-8-32-24(17)35)25(36)33-39(37,38)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,32,35)(H,33,36)
InChIKeyYDEWBZMUGXFDLZ-UHFFFAOYSA-N
XLogP4.87
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide (CID 56951378) is N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide is Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1C(F)(F)F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide?
The InChIKey is YDEWBZMUGXFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N3O4S/c1-13-9-18-21(11-19(13)26(29,30)31)34(12-14-10-15(27)4-7-20(14)28)23(22(18)17-3-2-8-32-24(17)35)25(36)33-39(37,38)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,32,35)(H,33,36).
What are the key properties of N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 565.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2,5-difluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 56951378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).