6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H21F5N4O2S — CID 66730749

IUPAC6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCCC3)c2c1F
InChIInChI=1S/C23H21F5N4O2S/c1-12-18(24)9-16-17(10-29)21(32(22(16)20(12)25)14-5-3-4-6-14)19-8-7-15(11-30-19)35(33,34)31-13(2)23(26,27)28/h7-9,11,13-14,31H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyUPOYFPUBOBAQHB-ZDUSSCGKSA-N
MW512.50 g/mol
LogP5.51
Rot. Bonds5

About 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730749) has the molecular formula C23H21F5N4O2S and a molecular weight of 512.50 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66730749
Molecular FormulaC23H21F5N4O2S
Molecular Weight512.50 g/mol
Exact Mass512.13
IUPAC Name6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCCC3)c2c1F
InChIInChI=1S/C23H21F5N4O2S/c1-12-18(24)9-16-17(10-29)21(32(22(16)20(12)25)14-5-3-4-6-14)19-8-7-15(11-30-19)35(33,34)31-13(2)23(26,27)28/h7-9,11,13-14,31H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyUPOYFPUBOBAQHB-ZDUSSCGKSA-N
XLogP5.51
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66730749) is 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1c(F)cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCCC3)c2c1F.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is UPOYFPUBOBAQHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H21F5N4O2S/c1-12-18(24)9-16-17(10-29)21(32(22(16)20(12)25)14-5-3-4-6-14)19-8-7-15(11-30-19)35(33,34)31-13(2)23(26,27)28/h7-9,11,13-14,31H,3-6H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 512.50 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-5,7-difluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).