3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide

C18H19ClN4O2S — CID 121108220

IUPAC3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESN#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O2S/c19-16-4-1-5-17(11-16)26(24,25)22-13-14-6-9-23(10-7-14)18-15(12-20)3-2-8-21-18/h1-5,8,11,14,22H,6-7,9-10,13H2
InChIKeyODWDENHDXUDMSE-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.80
Rot. Bonds5

About 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide

3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121108220) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121108220
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESN#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O2S/c19-16-4-1-5-17(11-16)26(24,25)22-13-14-6-9-23(10-7-14)18-15(12-20)3-2-8-21-18/h1-5,8,11,14,22H,6-7,9-10,13H2
InChIKeyODWDENHDXUDMSE-UHFFFAOYSA-N
XLogP2.80
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121108220) is 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide is N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is ODWDENHDXUDMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-16-4-1-5-17(11-16)26(24,25)22-13-14-6-9-23(10-7-14)18-15(12-20)3-2-8-21-18/h1-5,8,11,14,22H,6-7,9-10,13H2.
What are the key properties of 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide?
3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 390.90 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121108220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).