ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate

C22H25ClN2O6S — CID 26591578

IUPACethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1
InChIInChI=1S/C22H25ClN2O6S/c1-3-31-22(27)15-9-11-25(12-10-15)21(26)16-5-4-6-18(13-16)32(28,29)24-19-14-17(23)7-8-20(19)30-2/h4-8,13-15,24H,3,9-12H2,1-2H3
InChIKeyLHOFSEOWNOLAEY-UHFFFAOYSA-N
MW480.97 g/mol
LogP3.56
Rot. Bonds7

About ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate

ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate (PubChem CID 26591578) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
PubChem CID26591578
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Nameethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1
InChIInChI=1S/C22H25ClN2O6S/c1-3-31-22(27)15-9-11-25(12-10-15)21(26)16-5-4-6-18(13-16)32(28,29)24-19-14-17(23)7-8-20(19)30-2/h4-8,13-15,24H,3,9-12H2,1-2H3
InChIKeyLHOFSEOWNOLAEY-UHFFFAOYSA-N
XLogP3.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]benzoate
CID 2381215
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 2329577
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
1-[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
CID 2517041
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
ethyl 1-[N-(5-chloro-2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]piperidine-4-carboxylate
CID 2929885
3-chloro-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide
CID 4826772
4-chloro-N-[3-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4849177
4-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 6484583

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate (CID 26591578) is ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)CC1.
What is the InChIKey of ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The InChIKey is LHOFSEOWNOLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c1-3-31-22(27)15-9-11-25(12-10-15)21(26)16-5-4-6-18(13-16)32(28,29)24-19-14-17(23)7-8-20(19)30-2/h4-8,13-15,24H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate has a molecular weight of 480.97 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 26591578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).