N-(3-chloroquinoxalin-2-yl)benzenesulfonamide

C14H10ClN3O2S — CID 698553

IUPACN-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1
InChIInChI=1S/C14H10ClN3O2S/c15-13-14(17-12-9-5-4-8-11(12)16-13)18-21(19,20)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyNQMQRGNWHJIWHW-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About N-(3-chloroquinoxalin-2-yl)benzenesulfonamide

N-(3-chloroquinoxalin-2-yl)benzenesulfonamide (PubChem CID 698553) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)benzenesulfonamide
PubChem CID698553
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-(3-chloroquinoxalin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1
InChIInChI=1S/C14H10ClN3O2S/c15-13-14(17-12-9-5-4-8-11(12)16-13)18-21(19,20)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyNQMQRGNWHJIWHW-UHFFFAOYSA-N
XLogP3.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfaquinoxaline
CID 5338
4-Amino-N-(5-chloro-2-quinoxalinyl)benzenesulfonamide
CID 72462
Sulfaquinoxaline Sodium
CID 3693427
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
N-(3-chloro-2-quinoxalinyl)-2-naphthalenesulfonamide
CID 2405538
N-(3-chloroquinoxalin-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 4962629
3-[(3-{[(4-Chlorophenyl)sulfonyl]amino}-2-quinoxalinyl)amino]benzenesulfonamide
CID 5202109
3-Chloroquinoxalin-2-amine
CID 817274
4-amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 389572
N-[4-[(3-chloroquinoxalin-2-yl)-methylsulfamoyl]phenyl]acetamide
CID 2311673

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)benzenesulfonamide (CID 698553) is N-(3-chloroquinoxalin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
The InChIKey is NQMQRGNWHJIWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-13-14(17-12-9-5-4-8-11(12)16-13)18-21(19,20)10-6-2-1-3-7-10/h1-9H,(H,17,18).
What are the key properties of N-(3-chloroquinoxalin-2-yl)benzenesulfonamide?
N-(3-chloroquinoxalin-2-yl)benzenesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)benzenesulfonamide is sourced from PubChem (CID 698553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).