6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C23H16F5N5O2S — CID 66735129

IUPAC6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C23H16F5N5O2S/c1-12-7-20-16(8-18(12)25)17(9-29)22(33(20)21-6-3-14(24)10-31-21)19-5-4-15(11-30-19)36(34,35)32-13(2)23(26,27)28/h3-8,10-11,13,32H,1-2H3/t13-/m0/s1
InChIKeyPIINGLPUBVRSQF-ZDUSSCGKSA-N
MW521.47 g/mol
LogP4.77
Rot. Bonds5

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

6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66735129) has the molecular formula C23H16F5N5O2S and a molecular weight of 521.47 g/mol. Its IUPAC name is 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66735129
Molecular FormulaC23H16F5N5O2S
Molecular Weight521.47 g/mol
Exact Mass521.09
IUPAC Name6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C23H16F5N5O2S/c1-12-7-20-16(8-18(12)25)17(9-29)22(33(20)21-6-3-14(24)10-31-21)19-5-4-15(11-30-19)36(34,35)32-13(2)23(26,27)28/h3-8,10-11,13,32H,1-2H3/t13-/m0/s1
InChIKeyPIINGLPUBVRSQF-ZDUSSCGKSA-N
XLogP4.77
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66735129) is 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1.
What is the InChIKey of 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is PIINGLPUBVRSQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H16F5N5O2S/c1-12-7-20-16(8-18(12)25)17(9-29)22(33(20)21-6-3-14(24)10-31-21)19-5-4-15(11-30-19)36(34,35)32-13(2)23(26,27)28/h3-8,10-11,13,32H,1-2H3/t13-/m0/s1.
What are the key properties of 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 521.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-5-fluoro-1-(5-fluoro-2-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66735129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).