3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C26H23F2N3O3S — CID 69144056

IUPAC3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c[nH]c12
InChIInChI=1S/C26H23F2N3O3S/c27-19-6-7-24(23(28)14-19)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H2,29,32)
InChIKeyAEXVDBFBYSCTRK-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.78
Rot. Bonds5

About 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 69144056) has the molecular formula C26H23F2N3O3S and a molecular weight of 495.55 g/mol. Its IUPAC name is 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID69144056
Molecular FormulaC26H23F2N3O3S
Molecular Weight495.55 g/mol
Exact Mass495.14
IUPAC Name3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c[nH]c12
InChIInChI=1S/C26H23F2N3O3S/c27-19-6-7-24(23(28)14-19)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H2,29,32)
InChIKeyAEXVDBFBYSCTRK-UHFFFAOYSA-N
XLogP4.78
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[(4-chloro-2,1,3-benzoxadiazol-5-yl)sulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 59003286
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-fluoro-2-methylphenyl)-1H-indole-7-carboxamide
CID 11154979
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205438
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641
3-[1-[2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791098
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
5-[3-[[[(2R)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2-difluoropropanoic acid
CID 143389644
5-[4-[(butanoylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 66722998

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 69144056) is 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)c[nH]c12.
What is the InChIKey of 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is AEXVDBFBYSCTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3S/c27-19-6-7-24(23(28)14-19)35(33,34)31-10-8-17(9-11-31)22-15-30-25-20(22)12-18(13-21(25)26(29)32)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H2,29,32).
What are the key properties of 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 69144056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).