N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C19H20F2N2O3S — CID 27906905

IUPACN-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H20F2N2O3S/c1-13-5-6-17(27(25,26)23-7-3-2-4-8-23)12-18(13)19(24)22-16-10-14(20)9-15(21)11-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyLBZCEDPBEYWRMB-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.70
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 27906905) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID27906905
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H20F2N2O3S/c1-13-5-6-17(27(25,26)23-7-3-2-4-8-23)12-18(13)19(24)22-16-10-14(20)9-15(21)11-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyLBZCEDPBEYWRMB-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(1,3-benzodioxol-5-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8701185
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
2,4-difluoro-5-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 56570635

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 27906905) is N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LBZCEDPBEYWRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-5-6-17(27(25,26)23-7-3-2-4-8-23)12-18(13)19(24)22-16-10-14(20)9-15(21)11-16/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,24).
What are the key properties of N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27906905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).