6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C21H17F4N3O2S2 — CID 66733355

IUPAC6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccsc1
InChIInChI=1S/C21H17F4N3O2S2/c1-12-7-19-14(8-17(12)22)9-20(28(19)15-5-6-31-11-15)18-4-3-16(10-26-18)32(29,30)27-13(2)21(23,24)25/h3-11,13,27H,1-2H3/t13-/m0/s1
InChIKeyYZNUAPQHPQZZAM-ZDUSSCGKSA-N
MW483.51 g/mol
LogP5.43
Rot. Bonds5

About 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66733355) has the molecular formula C21H17F4N3O2S2 and a molecular weight of 483.51 g/mol. Its IUPAC name is 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66733355
Molecular FormulaC21H17F4N3O2S2
Molecular Weight483.51 g/mol
Exact Mass483.07
IUPAC Name6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccsc1
InChIInChI=1S/C21H17F4N3O2S2/c1-12-7-19-14(8-17(12)22)9-20(28(19)15-5-6-31-11-15)18-4-3-16(10-26-18)32(29,30)27-13(2)21(23,24)25/h3-11,13,27H,1-2H3/t13-/m0/s1
InChIKeyYZNUAPQHPQZZAM-ZDUSSCGKSA-N
XLogP5.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66733355) is 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccsc1.
What is the InChIKey of 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YZNUAPQHPQZZAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17F4N3O2S2/c1-12-7-19-14(8-17(12)22)9-20(28(19)15-5-6-31-11-15)18-4-3-16(10-26-18)32(29,30)27-13(2)21(23,24)25/h3-11,13,27H,1-2H3/t13-/m0/s1.
What are the key properties of 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 483.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methyl-1-thiophen-3-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66733355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).