2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate

C19H19ClN3O5S- — CID 172675764

IUPAC2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)/p-1
InChIKeyHIWYRXWPCQHOSO-UHFFFAOYSA-M
MW436.90 g/mol
LogP0.78
Rot. Bonds6

About 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate

2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate (PubChem CID 172675764) has the molecular formula C19H19ClN3O5S- and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Name2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate
PubChem CID172675764
Molecular FormulaC19H19ClN3O5S-
Molecular Weight436.90 g/mol
Exact Mass436.07
IUPAC Name2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)/p-1
InChIKeyHIWYRXWPCQHOSO-UHFFFAOYSA-M
XLogP0.78
TPSA119.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

potassium 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate
CID 171351632
2-[[3-hydroxy-5-[1-(4-hydroxyphenyl)sulfonylazepan-4-yl]pyridine-2-carbonyl]amino]acetic acid
CID 175228715
2-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylbenzoyl]amino]acetic acid
CID 171349451
2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
CID 171355035
1-(4-chlorophenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 100659038
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
5-(azocan-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114614086
5-(azepan-1-ylsulfonyl)pyridine-2-carbothioamide
CID 114613969
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
N-(4-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117204

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate (CID 172675764) is 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate is O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate?
The InChIKey is HIWYRXWPCQHOSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)/p-1.
What are the key properties of 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate?
2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate has a molecular weight of 436.90 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(4-chlorophenyl)piperidin-1-yl]sulfonylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 172675764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).