N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide

C18H18Cl2N2O3S — CID 108561561

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-13-6-7-17(20)16(12-13)18(23)21-14-8-10-22(11-9-14)26(24,25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2,(H,21,23)
InChIKeyBWMPALUXSNWOFV-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide (PubChem CID 108561561) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
PubChem CID108561561
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-13-6-7-17(20)16(12-13)18(23)21-14-8-10-22(11-9-14)26(24,25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2,(H,21,23)
InChIKeyBWMPALUXSNWOFV-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
CID 50847664
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
2-chloro-N-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]benzamide
CID 108559903
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide (CID 108561561) is N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide is O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide?
The InChIKey is BWMPALUXSNWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-13-6-7-17(20)16(12-13)18(23)21-14-8-10-22(11-9-14)26(24,25)15-4-2-1-3-5-15/h1-7,12,14H,8-11H2,(H,21,23).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide has a molecular weight of 413.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide is sourced from PubChem (CID 108561561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).