N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide

C20H22F2N2O3S — CID 55549584

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F2N2O3S/c1-23(14-15-9-10-16(21)13-18(15)22)20(25)17-7-3-4-8-19(17)28(26,27)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyQSDCVQGKNUSGHT-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.41
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55549584) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55549584
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22F2N2O3S/c1-23(14-15-9-10-16(21)13-18(15)22)20(25)17-7-3-4-8-19(17)28(26,27)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyQSDCVQGKNUSGHT-UHFFFAOYSA-N
XLogP3.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
CID 78795855
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
5-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-methoxybenzamide
CID 112817187
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide (CID 55549584) is N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide is CN(Cc1ccc(F)cc1F)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QSDCVQGKNUSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-23(14-15-9-10-16(21)13-18(15)22)20(25)17-7-3-4-8-19(17)28(26,27)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 408.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55549584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).