1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline

C16H18N2O2S — CID 110715148

IUPAC1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-17-11-12-18(16-10-6-5-9-15(16)17)21(19,20)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyQLNHZZPRAUMPMA-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.47
Rot. Bonds3

About 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline

1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline (PubChem CID 110715148) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
PubChem CID110715148
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-17-11-12-18(16-10-6-5-9-15(16)17)21(19,20)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyQLNHZZPRAUMPMA-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
CID 110715152
3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
CID 63777500
4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 131961591
1-cyclopropyl-4-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroquinoxaline
CID 110715223
4-benzylsulfonyl-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110663227
4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
CID 63777912
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
CID 63778567
1-methyl-4-[(3-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
CID 110669660
methyl 1-benzylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 47019071
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
CID 63776643

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline (CID 110715148) is 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline is CN1CCN(S(=O)(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is QLNHZZPRAUMPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-11-12-18(16-10-6-5-9-15(16)17)21(19,20)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline?
1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 302.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 110715148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).