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

C13H17BrN2O3S — CID 15944015

IUPAC1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H17BrN2O3S/c1-9-8-11(14)2-3-12(9)20(18,19)16-6-4-10(5-7-16)13(15)17/h2-3,8,10H,4-7H2,1H3,(H2,15,17)
InChIKeyLICGTIUPAGQGGD-UHFFFAOYSA-N
MW361.26 g/mol
LogP1.64
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 15944015) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID15944015
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(Br)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H17BrN2O3S/c1-9-8-11(14)2-3-12(9)20(18,19)16-6-4-10(5-7-16)13(15)17/h2-3,8,10H,4-7H2,1H3,(H2,15,17)
InChIKeyLICGTIUPAGQGGD-UHFFFAOYSA-N
XLogP1.64
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)sulfonylpiperidin-4-amine
CID 120705873
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(5-bromo-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031826
1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25252524
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(5-bromo-2-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 16645322
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 15944015) is 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(Br)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LICGTIUPAGQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-9-8-11(14)2-3-12(9)20(18,19)16-6-4-10(5-7-16)13(15)17/h2-3,8,10H,4-7H2,1H3,(H2,15,17).
What are the key properties of 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15944015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).