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

C24H21ClFN5O2S — CID 1325905

IUPAC4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29)
InChIKeyDKCNXHOCGXTEGV-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.55
Rot. Bonds5

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

4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 1325905) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
PubChem CID1325905
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC Name4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29)
InChIKeyDKCNXHOCGXTEGV-UHFFFAOYSA-N
XLogP4.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloroquinoxalin-2-yl)-4-fluorobenzene-1-sulfonamide
CID 3455851
N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2096996
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
N-[5-[3-[benzyl(methyl)amino]quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608115
3-[(3-{[(4-Chlorophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]benzenesulfonamide
CID 5202109
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
3-chloro-N-[(2Z)-3-[(2-hydroxyethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
CID 666061
3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 666487
4-chloro-N-{3-[4-(2-pyridinyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1253223
[3-(3-butyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl][(4-chlorophenyl)sulfonyl]azanide
CID 1604929

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide (CID 1325905) is 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is DKCNXHOCGXTEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c25-17-9-11-18(12-10-17)34(32,33)29-23-24(28-21-7-3-2-6-20(21)27-23)31-15-13-30(14-16-31)22-8-4-1-5-19(22)26/h1-12H,13-16H2,(H,27,29).
What are the key properties of 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 497.98 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1325905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).