2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline

C16H13ClN2O2S — CID 134716338

IUPAC2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22(20,21)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyVHRZYLVSHVWGFU-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.57
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline

2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline (PubChem CID 134716338) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline
PubChem CID134716338
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22(20,21)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyVHRZYLVSHVWGFU-UHFFFAOYSA-N
XLogP3.57
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
L-764406
CID 9818466
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-(4-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 134131845
2-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)quinoxaline
CID 145983634
6-Chloro-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)quinoxaline
CID 145985794
2-(3-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164616548
2-(2-Chlorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618672
(3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile
CID 375022
7,8-dichloro-3,4-dihydro-2H-thiopyrano[3,2-b]quinoxaline 1,1-dioxide
CID 22341151
2,3-Bis[(4-chlorophenyl)sulfanyl]quinoxaline
CID 2823797
2-((2-Chlorophenyl)sulfanyl)-3-(trifluoromethyl)quinoxaline
CID 1470967

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline (CID 134716338) is 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline is Cc1nc2ccccc2nc1CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline?
The InChIKey is VHRZYLVSHVWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22(20,21)13-8-6-12(17)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline?
2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline has a molecular weight of 332.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethyl]-3-methylquinoxaline is sourced from PubChem (CID 134716338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).