3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide

C20H16ClN5O4S2 — CID 5202109

IUPAC3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN5O4S2/c21-13-8-10-15(11-9-13)32(29,30)26-20-19(24-17-6-1-2-7-18(17)25-20)23-14-4-3-5-16(12-14)31(22,27)28/h1-12H,(H,23,24)(H,25,26)(H2,22,27,28)
InChIKeyDUIGINIRZZKWJC-UHFFFAOYSA-N
MW489.97 g/mol
LogP3.47
Rot. Bonds6

About 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide

3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide (PubChem CID 5202109) has the molecular formula C20H16ClN5O4S2 and a molecular weight of 489.97 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide
PubChem CID5202109
Molecular FormulaC20H16ClN5O4S2
Molecular Weight489.97 g/mol
Exact Mass489.03
IUPAC Name3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN5O4S2/c21-13-8-10-15(11-9-13)32(29,30)26-20-19(24-17-6-1-2-7-18(17)25-20)23-14-4-3-5-16(12-14)31(22,27)28/h1-12H,(H,23,24)(H,25,26)(H2,22,27,28)
InChIKeyDUIGINIRZZKWJC-UHFFFAOYSA-N
XLogP3.47
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.97
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
4-chloro-N-{3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1325905
N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
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
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
2,5-dichloro-N-(3-((3-methoxypropyl)amino)quinoxalin-2-yl)benzenesulfonamide
CID 1621617
1-allyl-3-((3-chlorophenyl)sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 1866414
4-[[3-[(4-Chlorophenyl)sulfonylamino]-2-quinoxalinyl]amino]-1-piperidinecarboxylic acid ethyl ester
CID 2972664

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide (CID 5202109) is 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide?
The InChIKey is DUIGINIRZZKWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4S2/c21-13-8-10-15(11-9-13)32(29,30)26-20-19(24-17-6-1-2-7-18(17)25-20)23-14-4-3-5-16(12-14)31(22,27)28/h1-12H,(H,23,24)(H,25,26)(H2,22,27,28).
What are the key properties of 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide?
3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide has a molecular weight of 489.97 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 5202109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).