6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide

C24H24F2N4O3S — CID 66731173

IUPAC6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C1CC1
InChIInChI=1S/C24H24F2N4O3S/c1-14(15-5-6-15)29-34(31,32)18-8-10-21(28-13-18)23-20(12-27)19-9-7-17(33-24(25)26)11-22(19)30(23)16-3-2-4-16/h7-11,13-16,24,29H,2-6H2,1H3/t14-/m0/s1
InChIKeyGMADFBMFYJCBAO-AWEZNQCLSA-N
MW486.54 g/mol
LogP4.98
Rot. Bonds8

About 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide (PubChem CID 66731173) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
PubChem CID66731173
Molecular FormulaC24H24F2N4O3S
Molecular Weight486.54 g/mol
Exact Mass486.15
IUPAC Name6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C1CC1
InChIInChI=1S/C24H24F2N4O3S/c1-14(15-5-6-15)29-34(31,32)18-8-10-21(28-13-18)23-20(12-27)19-9-7-17(33-24(25)26)11-22(19)30(23)16-3-2-4-16/h7-11,13-16,24,29H,2-6H2,1H3/t14-/m0/s1
InChIKeyGMADFBMFYJCBAO-AWEZNQCLSA-N
XLogP4.98
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide (CID 66731173) is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C1CC1.
What is the InChIKey of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The InChIKey is GMADFBMFYJCBAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c1-14(15-5-6-15)29-34(31,32)18-8-10-21(28-13-18)23-20(12-27)19-9-7-17(33-24(25)26)11-22(19)30(23)16-3-2-4-16/h7-11,13-16,24,29H,2-6H2,1H3/t14-/m0/s1.
What are the key properties of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide has a molecular weight of 486.54 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 66731173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).