benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate

C21H23ClN2O5S — CID 27286619

IUPACbenzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H23ClN2O5S/c22-18-6-8-19(9-7-18)30(27,28)24-12-10-17(11-13-24)21(26)23-14-20(25)29-15-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyZAEVKDNBBRWBAT-UHFFFAOYSA-N
MW450.94 g/mol
LogP2.60
Rot. Bonds7

About benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate

benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate (PubChem CID 27286619) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
PubChem CID27286619
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Namebenzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H23ClN2O5S/c22-18-6-8-19(9-7-18)30(27,28)24-12-10-17(11-13-24)21(26)23-14-20(25)29-15-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyZAEVKDNBBRWBAT-UHFFFAOYSA-N
XLogP2.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N-(3-anilinopropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 56586328
1-(4-chlorophenyl)sulfonyl-N-methoxypiperidine-4-carboxamide
CID 27745097
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
benzyl 2-[1-(4-aminophenyl)sulfonylpiperidin-4-yl]acetate
CID 153039724
benzyl 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]acetate
CID 26262954
1-(4-chlorophenyl)sulfonyl-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 8919099
benzyl 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoate
CID 166448326

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate (CID 27286619) is benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate is O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate?
The InChIKey is ZAEVKDNBBRWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c22-18-6-8-19(9-7-18)30(27,28)24-12-10-17(11-13-24)21(26)23-14-20(25)29-15-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26).
What are the key properties of benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate?
benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate has a molecular weight of 450.94 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 27286619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).