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

C20H20BrN5O3S — CID 2340648

IUPAC1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrN5O3S/c21-14-5-7-15(8-6-14)30(28,29)25-19-20(24-17-4-2-1-3-16(17)23-19)26-11-9-13(10-12-26)18(22)27/h1-8,13H,9-12H2,(H2,22,27)(H,23,25)
InChIKeyFHBJMYFUUMMLCL-UHFFFAOYSA-N
MW490.38 g/mol
LogP2.89
Rot. Bonds5

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

1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 2340648) has the molecular formula C20H20BrN5O3S and a molecular weight of 490.38 g/mol. Its IUPAC name is 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID2340648
Molecular FormulaC20H20BrN5O3S
Molecular Weight490.38 g/mol
Exact Mass489.05
IUPAC Name1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H20BrN5O3S/c21-14-5-7-15(8-6-14)30(28,29)25-19-20(24-17-4-2-1-3-16(17)23-19)26-11-9-13(10-12-26)18(22)27/h1-8,13H,9-12H2,(H2,22,27)(H,23,25)
InChIKeyFHBJMYFUUMMLCL-UHFFFAOYSA-N
XLogP2.89
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
N-[4-({[3-(dibutylamino)-2-quinoxalinyl]amino}sulfonyl)phenyl]acetamide
CID 2297789
4-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2340644
4-bromo-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3997306
N-(4-{[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]sulfamoyl}phenyl)acetamide
CID 17579561
N-{3-[(2-bromophenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2921212
N-(4-(N-(3-(piperidin-1-yl)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1627794
4-bromo-N-[3-(4-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1347544
4-bromo-N-[3-(3-fluoroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1900169
6-bromo-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoxalin-2-amine
CID 122189747
4-Amino-N-(3-(1-piperidinyl)-2-quinoxalinyl)benzenesulfonamide
CID 389571

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide (CID 2340648) is 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is FHBJMYFUUMMLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O3S/c21-14-5-7-15(8-6-14)30(28,29)25-19-20(24-17-4-2-1-3-16(17)23-19)26-11-9-13(10-12-26)18(22)27/h1-8,13H,9-12H2,(H2,22,27)(H,23,25).
What are the key properties of 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide?
1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 490.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2340648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).