1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide

C14H19BrN2O4S — CID 15944025

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-9-7-12(21-2)13(8-11(9)15)22(19,20)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChIKeyDWAQSTOWBPNPJU-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.65
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide

1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 15944025) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID15944025
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19BrN2O4S/c1-9-7-12(21-2)13(8-11(9)15)22(19,20)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChIKeyDWAQSTOWBPNPJU-UHFFFAOYSA-N
XLogP1.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 15944025) is 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DWAQSTOWBPNPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-9-7-12(21-2)13(8-11(9)15)22(19,20)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide?
1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 391.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15944025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).