N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide

C28H26FN3O4S — CID 171683224

IUPACN-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CC2)c1
InChIInChI=1S/C28H26FN3O4S/c1-37(35,36)23-8-9-25(29)24(17-23)28(34)32-14-11-19(12-15-32)18-4-6-22(7-5-18)31-27(33)21-3-2-20-10-13-30-26(20)16-21/h2-10,13,16-17,19,30H,11-12,14-15H2,1H3,(H,31,33)
InChIKeyGZYUBSXWHIPLGY-UHFFFAOYSA-N
MW519.60 g/mol
LogP4.98
Rot. Bonds5

About N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide

N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide (PubChem CID 171683224) has the molecular formula C28H26FN3O4S and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide
PubChem CID171683224
Molecular FormulaC28H26FN3O4S
Molecular Weight519.60 g/mol
Exact Mass519.16
IUPAC NameN-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CC2)c1
InChIInChI=1S/C28H26FN3O4S/c1-37(35,36)23-8-9-25(29)24(17-23)28(34)32-14-11-19(12-15-32)18-4-6-22(7-5-18)31-27(33)21-3-2-20-10-13-30-26(20)16-21/h2-10,13,16-17,19,30H,11-12,14-15H2,1H3,(H,31,33)
InChIKeyGZYUBSXWHIPLGY-UHFFFAOYSA-N
XLogP4.98
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide (CID 171683224) is N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide is CS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3ccc(NC(=O)c4ccc5cc[nH]c5c4)cc3)CC2)c1.
What is the InChIKey of N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide?
The InChIKey is GZYUBSXWHIPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4S/c1-37(35,36)23-8-9-25(29)24(17-23)28(34)32-14-11-19(12-15-32)18-4-6-22(7-5-18)31-27(33)21-3-2-20-10-13-30-26(20)16-21/h2-10,13,16-17,19,30H,11-12,14-15H2,1H3,(H,31,33).
What are the key properties of N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide?
N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluoro-5-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 171683224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).