1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide

C12H16BrN3O3S — CID 115328958

IUPAC1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H16BrN3O3S/c13-9-5-4-8(7-10(9)14)20(18,19)16-6-2-1-3-11(16)12(15)17/h4-5,7,11H,1-3,6,14H2,(H2,15,17)
InChIKeyVSEIIFPUBQGERV-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.06
Rot. Bonds3

About 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide

1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 115328958) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID115328958
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C12H16BrN3O3S/c13-9-5-4-8(7-10(9)14)20(18,19)16-6-2-1-3-11(16)12(15)17/h4-5,7,11H,1-3,6,14H2,(H2,15,17)
InChIKeyVSEIIFPUBQGERV-UHFFFAOYSA-N
XLogP1.06
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
1-(4-amino-3-methoxyphenyl)sulfonylpiperidine-2-carboxamide
CID 81442189
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42912980
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 99856807
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 103697332
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide (CID 115328958) is 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide is NC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is VSEIIFPUBQGERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c13-9-5-4-8(7-10(9)14)20(18,19)16-6-2-1-3-11(16)12(15)17/h4-5,7,11H,1-3,6,14H2,(H2,15,17).
What are the key properties of 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide?
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 115328958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).