N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide

C18H15N5O2S2 — CID 2318690

IUPACN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
SMILESCn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)
InChIKeyIJWFQHZDXNNSDK-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide

N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide (PubChem CID 2318690) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
PubChem CID2318690
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
SMILESCn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)
InChIKeyIJWFQHZDXNNSDK-UHFFFAOYSA-N
XLogP3.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Sulfaquinoxaline
CID 5338
Sulfaquinoxaline Sodium
CID 3693427
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
[3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 3751260
[3-(3-benzyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl](phenylsulfonyl)azanide
CID 1388851
{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]azanide
CID 1420272
[3-(3-benzyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl][(4-methylphenyl)sulfonyl]azanide
CID 1420414
[(4-chlorophenyl)sulfonyl]{3-[3-(3-methylbutyl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide
CID 1420601
Benzenesulfonyl-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide
CID 1575593
[3-(3-butyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl][(4-chlorophenyl)sulfonyl]azanide
CID 1604929
Benzenesulfonyl-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide
CID 2305594

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide (CID 2318690) is N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide is Cn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IJWFQHZDXNNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22).
What are the key properties of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide has a molecular weight of 397.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).