1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C13H16Cl2N2O4S — CID 1085510

IUPAC1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O4S/c1-21-11-6-10(15)12(7-9(11)14)22(19,20)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5H2,1H3,(H2,16,18)
InChIKeyLFRQWRTWYWFUOS-UHFFFAOYSA-N
MW367.25 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1085510) has the molecular formula C13H16Cl2N2O4S and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1085510
Molecular FormulaC13H16Cl2N2O4S
Molecular Weight367.25 g/mol
Exact Mass366.02
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O4S/c1-21-11-6-10(15)12(7-9(11)14)22(19,20)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5H2,1H3,(H2,16,18)
InChIKeyLFRQWRTWYWFUOS-UHFFFAOYSA-N
XLogP1.89
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086
1-(2-chloro-4,5-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 122068483
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
3-(2,5-dichloro-4-methoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989439
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxybenzoic acid
CID 20506094
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
(3S)-1-[(2,5-dichloro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 97332108

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1085510) is 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1cc(Cl)c(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LFRQWRTWYWFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4S/c1-21-11-6-10(15)12(7-9(11)14)22(19,20)17-4-2-8(3-5-17)13(16)18/h6-8H,2-5H2,1H3,(H2,16,18).
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1085510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).