1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C19H21ClN2O4S — CID 2990214

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-8-7-15(20)13-18(17)27(24,25)22-11-9-14(10-12-22)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyAAFXDHQFNLQMIH-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.39
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 2990214) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID2990214
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-8-7-15(20)13-18(17)27(24,25)22-11-9-14(10-12-22)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyAAFXDHQFNLQMIH-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
N-(2,5-dichlorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 126326321
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
N-(3-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26114411
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551622
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3230697

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 2990214) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is AAFXDHQFNLQMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-17-8-7-15(20)13-18(17)27(24,25)22-11-9-14(10-12-22)19(23)21-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 2990214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).