N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

C21H22F2N2O3S — CID 30854662

IUPACN-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H22F2N2O3S/c22-17-5-7-19(23)20(13-17)24-21(26)15-8-10-25(11-9-15)29(27,28)18-6-4-14-2-1-3-16(14)12-18/h4-7,12-13,15H,1-3,8-11H2,(H,24,26)
InChIKeyCCERBDSRHXUIRB-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.49
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 30854662) has the molecular formula C21H22F2N2O3S and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID30854662
Molecular FormulaC21H22F2N2O3S
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC NameN-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H22F2N2O3S/c22-17-5-7-19(23)20(13-17)24-21(26)15-8-10-25(11-9-15)29(27,28)18-6-4-14-2-1-3-16(14)12-18/h4-7,12-13,15H,1-3,8-11H2,(H,24,26)
InChIKeyCCERBDSRHXUIRB-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30837294
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 55362109
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide (CID 30854662) is N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is O=C(Nc1cc(F)ccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is CCERBDSRHXUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3S/c22-17-5-7-19(23)20(13-17)24-21(26)15-8-10-25(11-9-15)29(27,28)18-6-4-14-2-1-3-16(14)12-18/h4-7,12-13,15H,1-3,8-11H2,(H,24,26).
What are the key properties of N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 30854662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).