1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide

C20H19BrN4O3S — CID 141267286

IUPAC1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrN4O3S/c21-14-5-7-15(8-6-14)29(27,28)20-19(23-16-3-1-2-4-17(16)24-20)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26)
InChIKeySFTPHQVJCSGBEE-UHFFFAOYSA-N
MW475.37 g/mol
LogP2.93
Rot. Bonds4

About 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide

1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 141267286) has the molecular formula C20H19BrN4O3S and a molecular weight of 475.37 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID141267286
Molecular FormulaC20H19BrN4O3S
Molecular Weight475.37 g/mol
Exact Mass474.04
IUPAC Name1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrN4O3S/c21-14-5-7-15(8-6-14)29(27,28)20-19(23-16-3-1-2-4-17(16)24-20)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26)
InChIKeySFTPHQVJCSGBEE-UHFFFAOYSA-N
XLogP2.93
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
1-[3-(4-Bromobenzenesulfonamido)quinoxalin-2-yl]piperidine-4-carboxamide
CID 2340648
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidin-3-ol
CID 70687605
2-(4-Bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
CID 70689664
2-(4-bromophenyl)sulfonyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70695984
3-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,3-diamine
CID 56673748
4-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]morpholine
CID 90667917
1-[3-(4-Bromobenzenesulfonyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-YL]piperidine-4-carboxamide
CID 16832868

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide (CID 141267286) is 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is SFTPHQVJCSGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3S/c21-14-5-7-15(8-6-14)29(27,28)20-19(23-16-3-1-2-4-17(16)24-20)25-11-9-13(10-12-25)18(22)26/h1-8,13H,9-12H2,(H2,22,26).
What are the key properties of 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide?
1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 475.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 141267286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).