4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine

C15H13Cl2NO3S — CID 5093818

IUPAC4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1COc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c1-10-9-21-14-5-3-2-4-13(14)18(10)22(19,20)15-8-11(16)6-7-12(15)17/h2-8,10H,9H2,1H3
InChIKeyWBKXXFSSXNQMPW-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.97
Rot. Bonds2

About 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine

4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 5093818) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID5093818
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCC1COc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H13Cl2NO3S/c1-10-9-21-14-5-3-2-4-13(14)18(10)22(19,20)15-8-11(16)6-7-12(15)17/h2-8,10H,9H2,1H3
InChIKeyWBKXXFSSXNQMPW-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine (CID 5093818) is 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is CC1COc2ccccc2N1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is WBKXXFSSXNQMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-10-9-21-14-5-3-2-4-13(14)18(10)22(19,20)15-8-11(16)6-7-12(15)17/h2-8,10H,9H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine?
4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 358.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 5093818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).