3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

C23H20ClN5O4S — CID 27815789

IUPAC3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H20ClN5O4S/c24-16-5-3-6-17(15-16)34(31,32)27-21-22(26-19-8-2-1-7-18(19)25-21)28-10-12-29(13-11-28)23(30)20-9-4-14-33-20/h1-9,14-15H,10-13H2,(H,25,27)
InChIKeyPAYFXNBSOZKFJP-UHFFFAOYSA-N
MW497.96 g/mol
LogP3.64
Rot. Bonds5

About 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide

3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 27815789) has the molecular formula C23H20ClN5O4S and a molecular weight of 497.96 g/mol. Its IUPAC name is 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
PubChem CID27815789
Molecular FormulaC23H20ClN5O4S
Molecular Weight497.96 g/mol
Exact Mass497.09
IUPAC Name3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=C(c1ccco1)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H20ClN5O4S/c24-16-5-3-6-17(15-16)34(31,32)27-21-22(26-19-8-2-1-7-18(19)25-21)28-10-12-29(13-11-28)23(30)20-9-4-14-33-20/h1-9,14-15H,10-13H2,(H,25,27)
InChIKeyPAYFXNBSOZKFJP-UHFFFAOYSA-N
XLogP3.64
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943990
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
ethyl 4-[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]piperazine-1-carboxylate
CID 25036116
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 46259650
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42809343
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
3-[[3-[(3-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 1401039
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (CID 27815789) is 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is O=C(c1ccco1)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is PAYFXNBSOZKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S/c24-16-5-3-6-17(15-16)34(31,32)27-21-22(26-19-8-2-1-7-18(19)25-21)28-10-12-29(13-11-28)23(30)20-9-4-14-33-20/h1-9,14-15H,10-13H2,(H,25,27).
What are the key properties of 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 497.96 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 27815789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).