5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C22H17F4N5O3S — CID 66733559

IUPAC5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)ccc3n2-c2ccccn2)nc1)C(F)(F)F
InChIInChI=1S/C22H17F4N5O3S/c1-12(22(24,25)26)30-35(33,34)14-6-7-16(29-11-14)20-19(21(27)32)15-10-13(23)5-8-17(15)31(20)18-4-2-3-9-28-18/h2-12,30H,1H3,(H2,27,32)/t12-/m0/s1
InChIKeyWLPSAQZSALZPIW-LBPRGKRZSA-N
MW507.47 g/mol
LogP3.55
Rot. Bonds6

About 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66733559) has the molecular formula C22H17F4N5O3S and a molecular weight of 507.47 g/mol. Its IUPAC name is 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID66733559
Molecular FormulaC22H17F4N5O3S
Molecular Weight507.47 g/mol
Exact Mass507.10
IUPAC Name5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)ccc3n2-c2ccccn2)nc1)C(F)(F)F
InChIInChI=1S/C22H17F4N5O3S/c1-12(22(24,25)26)30-35(33,34)14-6-7-16(29-11-14)20-19(21(27)32)15-10-13(23)5-8-17(15)31(20)18-4-2-3-9-28-18/h2-12,30H,1H3,(H2,27,32)/t12-/m0/s1
InChIKeyWLPSAQZSALZPIW-LBPRGKRZSA-N
XLogP3.55
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66733559) is 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)ccc3n2-c2ccccn2)nc1)C(F)(F)F.
What is the InChIKey of 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is WLPSAQZSALZPIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H17F4N5O3S/c1-12(22(24,25)26)30-35(33,34)14-6-7-16(29-11-14)20-19(21(27)32)15-10-13(23)5-8-17(15)31(20)18-4-2-3-9-28-18/h2-12,30H,1H3,(H2,27,32)/t12-/m0/s1.
What are the key properties of 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pyridin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66733559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).