2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide

C18H20ClN3O3S — CID 655614

IUPAC2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-13-7-8-20-17(11-13)21-18(23)15-12-14(5-6-16(15)19)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyGXKNGMAVISKOFH-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 655614) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID655614
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-13-7-8-20-17(11-13)21-18(23)15-12-14(5-6-16(15)19)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyGXKNGMAVISKOFH-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide (CID 655614) is 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GXKNGMAVISKOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-7-8-20-17(11-13)21-18(23)15-12-14(5-6-16(15)19)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23).
What are the key properties of 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 393.90 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-2-pyridinyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 655614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).