3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine

C20H15N3O2S — CID 56670219

IUPAC3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C20H15N3O2S/c24-26(25,16-11-5-2-6-12-16)20-19(21-15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-20/h1-14H,(H,21,22)
InChIKeyRRZLZNRLTQPPBV-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.21
Rot. Bonds4

About 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine

3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine (PubChem CID 56670219) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
PubChem CID56670219
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C20H15N3O2S/c24-26(25,16-11-5-2-6-12-16)20-19(21-15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-20/h1-14H,(H,21,22)
InChIKeyRRZLZNRLTQPPBV-UHFFFAOYSA-N
XLogP4.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[(4-ethylphenyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 2339194
N-[4-(3-Benzenesulfonylamino-quinoxalin-2-ylamino)-phenyl]-acetamide
CID 1400928
N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
CID 4092119
3-(4-methylphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56663384
3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
3-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670250
3-(4-methylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56670252
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine (CID 56670219) is 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine?
The InChIKey is RRZLZNRLTQPPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-26(25,16-11-5-2-6-12-16)20-19(21-15-9-3-1-4-10-15)22-17-13-7-8-14-18(17)23-20/h1-14H,(H,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine?
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine has a molecular weight of 361.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine is sourced from PubChem (CID 56670219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).