1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

C16H23BrN2O3S — CID 25252524

IUPAC1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(C)C)cc1Br
InChIInChI=1S/C16H23BrN2O3S/c1-10(2)13-9-14(17)11(3)8-15(13)23(21,22)19-6-4-12(5-7-19)16(18)20/h8-10,12H,4-7H2,1-3H3,(H2,18,20)
InChIKeyKXNMUGHYIBCWTJ-UHFFFAOYSA-N
MW403.34 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 25252524) has the molecular formula C16H23BrN2O3S and a molecular weight of 403.34 g/mol. Its IUPAC name is 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID25252524
Molecular FormulaC16H23BrN2O3S
Molecular Weight403.34 g/mol
Exact Mass402.06
IUPAC Name1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(C)C)cc1Br
InChIInChI=1S/C16H23BrN2O3S/c1-10(2)13-9-14(17)11(3)8-15(13)23(21,22)19-6-4-12(5-7-19)16(18)20/h8-10,12H,4-7H2,1-3H3,(H2,18,20)
InChIKeyKXNMUGHYIBCWTJ-UHFFFAOYSA-N
XLogP2.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylazepane
CID 39845585
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
4-chloro-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81326731
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 25252524) is 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C(C)C)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KXNMUGHYIBCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3S/c1-10(2)13-9-14(17)11(3)8-15(13)23(21,22)19-6-4-12(5-7-19)16(18)20/h8-10,12H,4-7H2,1-3H3,(H2,18,20).
What are the key properties of 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 403.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25252524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).