1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide

C22H27ClN2O4S — CID 100800008

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O4S/c1-15-5-6-18(13-16(15)2)24(3)22(26)17-9-11-25(12-10-17)30(27,28)19-7-8-21(29-4)20(23)14-19/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyKEUFOWFXQADNKX-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.03
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide

1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 100800008) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID100800008
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O4S/c1-15-5-6-18(13-16(15)2)24(3)22(26)17-9-11-25(12-10-17)30(27,28)19-7-8-21(29-4)20(23)14-19/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyKEUFOWFXQADNKX-UHFFFAOYSA-N
XLogP4.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100799999
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-cyclopropyl-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55636271
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43906676
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-methylboronamidic acid
CID 123158328

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide (CID 100800008) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KEUFOWFXQADNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-15-5-6-18(13-16(15)2)24(3)22(26)17-9-11-25(12-10-17)30(27,28)19-7-8-21(29-4)20(23)14-19/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide?
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 100800008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).