3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C18H18F2N2O3S — CID 9415065

IUPAC3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N2O3S/c19-14-10-13(11-15(20)12-14)18(23)21-16-4-6-17(7-5-16)26(24,25)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9H2,(H,21,23)
InChIKeyKBDOXCWZQPGUQT-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 9415065) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID9415065
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N2O3S/c19-14-10-13(11-15(20)12-14)18(23)21-16-4-6-17(7-5-16)26(24,25)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9H2,(H,21,23)
InChIKeyKBDOXCWZQPGUQT-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 9415065) is 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KBDOXCWZQPGUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-14-10-13(11-15(20)12-14)18(23)21-16-4-6-17(7-5-16)26(24,25)22-8-2-1-3-9-22/h4-7,10-12H,1-3,8-9H2,(H,21,23).
What are the key properties of 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 9415065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).