2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide

C18H18Cl2N2O3S — CID 1107106

IUPAC2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)
InChIKeyKENJNQGKULJCIX-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.42
Rot. Bonds4

About 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide

2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1107106) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1107106
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23)
InChIKeyKENJNQGKULJCIX-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide (CID 1107106) is 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KENJNQGKULJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-15-12-16(20)17(26(24,25)22-9-5-2-6-10-22)11-14(15)18(23)21-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide?
2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 413.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-phenyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1107106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).