2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

C19H24N4O4S — CID 89454479

IUPAC2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESNS(=O)(=O)c1ccc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cc1
InChIInChI=1S/C19H24N4O4S/c20-28(26,27)16-6-4-15(5-7-16)17-2-1-3-18(22-17)23-12-9-14(10-13-23)8-11-21-19(24)25/h1-7,14,21H,8-13H2,(H,24,25)(H2,20,26,27)
InChIKeyLBGBBINLKOHPNV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 89454479) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID89454479
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESNS(=O)(=O)c1ccc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cc1
InChIInChI=1S/C19H24N4O4S/c20-28(26,27)16-6-4-15(5-7-16)17-2-1-3-18(22-17)23-12-9-14(10-13-23)8-11-21-19(24)25/h1-7,14,21H,8-13H2,(H,24,25)(H2,20,26,27)
InChIKeyLBGBBINLKOHPNV-UHFFFAOYSA-N
XLogP2.27
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (CID 89454479) is 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is NS(=O)(=O)c1ccc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cc1.
What is the InChIKey of 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is LBGBBINLKOHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c20-28(26,27)16-6-4-15(5-7-16)17-2-1-3-18(22-17)23-12-9-14(10-13-23)8-11-21-19(24)25/h1-7,14,21H,8-13H2,(H,24,25)(H2,20,26,27).
What are the key properties of 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 404.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 89454479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).