2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide

C18H19ClFN3O3S — CID 25001373

IUPAC2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide
SMILESCC1CCCN(c2ccc(S(=O)(=O)NC(=O)c3ccc(F)cc3Cl)cn2)C1
InChIInChI=1S/C18H19ClFN3O3S/c1-12-3-2-8-23(11-12)17-7-5-14(10-21-17)27(25,26)22-18(24)15-6-4-13(20)9-16(15)19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyMZKXBKOZUUUXPK-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide

2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide (PubChem CID 25001373) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide
PubChem CID25001373
Molecular FormulaC18H19ClFN3O3S
Molecular Weight411.89 g/mol
Exact Mass411.08
IUPAC Name2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide
SMILESCC1CCCN(c2ccc(S(=O)(=O)NC(=O)c3ccc(F)cc3Cl)cn2)C1
InChIInChI=1S/C18H19ClFN3O3S/c1-12-3-2-8-23(11-12)17-7-5-14(10-21-17)27(25,26)22-18(24)15-6-4-13(20)9-16(15)19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyMZKXBKOZUUUXPK-UHFFFAOYSA-N
XLogP3.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide (CID 25001373) is 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide is CC1CCCN(c2ccc(S(=O)(=O)NC(=O)c3ccc(F)cc3Cl)cn2)C1.
What is the InChIKey of 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is MZKXBKOZUUUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c1-12-3-2-8-23(11-12)17-7-5-14(10-21-17)27(25,26)22-18(24)15-6-4-13(20)9-16(15)19/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24).
What are the key properties of 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide?
2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 411.89 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 25001373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).