4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine

C14H11ClFNO3S — CID 110639406

IUPAC4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCOc2ccc(F)cc21
InChIInChI=1S/C14H11ClFNO3S/c15-10-2-1-3-12(8-10)21(18,19)17-6-7-20-14-5-4-11(16)9-13(14)17/h1-5,8-9H,6-7H2
InChIKeyCWAYCCICILCPTK-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.07
Rot. Bonds2

About 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine

4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine (PubChem CID 110639406) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
PubChem CID110639406
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCOc2ccc(F)cc21
InChIInChI=1S/C14H11ClFNO3S/c15-10-2-1-3-12(8-10)21(18,19)17-6-7-20-14-5-4-11(16)9-13(14)17/h1-5,8-9H,6-7H2
InChIKeyCWAYCCICILCPTK-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-(4-fluoro-3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639369
4-(1,3-benzodioxol-5-ylsulfonyl)-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 110639375
methyl 4-(3-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 66789434
6-(3-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 145207651
1-[4-[(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]ethanone
CID 110639412
6-(3-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine;propan-1-ol
CID 145207650
6-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 145207509
6-chloro-4-[(4-fluorophenyl)methylsulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 110639507
2,6-dichloro-N-[4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 90085874
6-(2,6-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 145207664
6-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 166991382
7-chloro-4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 156859794

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine (CID 110639406) is 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine is O=S(=O)(c1cccc(Cl)c1)N1CCOc2ccc(F)cc21.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine?
The InChIKey is CWAYCCICILCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-10-2-1-3-12(8-10)21(18,19)17-6-7-20-14-5-4-11(16)9-13(14)17/h1-5,8-9H,6-7H2.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine?
4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine has a molecular weight of 327.76 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 110639406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).