6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide

C26H24F4N4O3S — CID 70369897

IUPAC6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(C)cc1
InChIInChI=1S/C26H24F4N4O3S/c1-4-16-11-22-19(12-20(16)27)23(25(31)35)24(34(22)17-7-5-14(2)6-8-17)21-10-9-18(13-32-21)38(36,37)33-15(3)26(28,29)30/h5-13,15,33H,4H2,1-3H3,(H2,31,35)
InChIKeyXRMBSALHLUKHFD-UHFFFAOYSA-N
MW548.56 g/mol
LogP5.03
Rot. Bonds7

About 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide

6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide (PubChem CID 70369897) has the molecular formula C26H24F4N4O3S and a molecular weight of 548.56 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
PubChem CID70369897
Molecular FormulaC26H24F4N4O3S
Molecular Weight548.56 g/mol
Exact Mass548.15
IUPAC Name6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide
SMILESCCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(C)cc1
InChIInChI=1S/C26H24F4N4O3S/c1-4-16-11-22-19(12-20(16)27)23(25(31)35)24(34(22)17-7-5-14(2)6-8-17)21-10-9-18(13-32-21)38(36,37)33-15(3)26(28,29)30/h5-13,15,33H,4H2,1-3H3,(H2,31,35)
InChIKeyXRMBSALHLUKHFD-UHFFFAOYSA-N
XLogP5.03
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide (CID 70369897) is 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide is CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
The InChIKey is XRMBSALHLUKHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O3S/c1-4-16-11-22-19(12-20(16)27)23(25(31)35)24(34(22)17-7-5-14(2)6-8-17)21-10-9-18(13-32-21)38(36,37)33-15(3)26(28,29)30/h5-13,15,33H,4H2,1-3H3,(H2,31,35).
What are the key properties of 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide?
6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide has a molecular weight of 548.56 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-1-(4-methylphenyl)-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 70369897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).