N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide

C20H22F2N2O3S — CID 43030164

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)ccc3F)cc2)C1
InChIInChI=1S/C20H22F2N2O3S/c1-13-9-14(2)12-24(11-13)28(26,27)17-6-4-16(5-7-17)23-20(25)18-10-15(21)3-8-19(18)22/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyLXOVXQWWQUTILH-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.88
Rot. Bonds4

About N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide

N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide (PubChem CID 43030164) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
PubChem CID43030164
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)ccc3F)cc2)C1
InChIInChI=1S/C20H22F2N2O3S/c1-13-9-14(2)12-24(11-13)28(26,27)17-6-4-16(5-7-17)23-20(25)18-10-15(21)3-8-19(18)22/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyLXOVXQWWQUTILH-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 9394724
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
[2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylanilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27998227
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961547
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
N-(4-ethylphenyl)-2-fluoro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3702946

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide (CID 43030164) is N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)ccc3F)cc2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide?
The InChIKey is LXOVXQWWQUTILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-13-9-14(2)12-24(11-13)28(26,27)17-6-4-16(5-7-17)23-20(25)18-10-15(21)3-8-19(18)22/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide?
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide has a molecular weight of 408.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 43030164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).