4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol

C15H16N2O3S — CID 63777912

IUPAC4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
SMILESCN1CCN(S(=O)(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C15H16N2O3S/c1-16-10-11-17(15-5-3-2-4-14(15)16)21(19,20)13-8-6-12(18)7-9-13/h2-9,18H,10-11H2,1H3
InChIKeyFDEXHJCPXQKHLZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.04
Rot. Bonds2

About 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol

4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol (PubChem CID 63777912) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
PubChem CID63777912
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol
SMILESCN1CCN(S(=O)(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C15H16N2O3S/c1-16-10-11-17(15-5-3-2-4-14(15)16)21(19,20)13-8-6-12(18)7-9-13/h2-9,18H,10-11H2,1H3
InChIKeyFDEXHJCPXQKHLZ-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(4-propylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 46382906
5-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-1H-pyridin-2-one
CID 63776643
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 106468005
3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]propan-1-amine
CID 63777500
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382919
4-[(4-methyl-3-oxo-2H-quinoxalin-1-yl)sulfonyl]benzoic acid
CID 110713476
4-methyl-1-[4-(triazol-1-yl)phenyl]sulfonyl-2,3-dihydropyrido[2,3-b]pyrazine
CID 166384454
4-[[4-(4-chlorophenyl)sulfonyl-2,3-dihydroquinoxalin-1-yl]sulfonyl]benzonitrile
CID 56646494
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
CID 63778567
1-cyclopropyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715217

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol?
The IUPAC name of 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol (CID 63777912) is 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol is CN1CCN(S(=O)(=O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol?
The InChIKey is FDEXHJCPXQKHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-16-10-11-17(15-5-3-2-4-14(15)16)21(19,20)13-8-6-12(18)7-9-13/h2-9,18H,10-11H2,1H3.
What are the key properties of 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol?
4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol has a molecular weight of 304.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenol is sourced from PubChem (CID 63777912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).