4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

C19H22FN3O4S — CID 22557241

IUPAC4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C19H22FN3O4S/c1-26-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-27-19)28(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3
InChIKeyVXENTEKHTGZQBA-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.83
Rot. Bonds4

About 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 22557241) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID22557241
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C19H22FN3O4S/c1-26-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-27-19)28(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3
InChIKeyVXENTEKHTGZQBA-UHFFFAOYSA-N
XLogP1.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine (CID 22557241) is 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine is COc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is VXENTEKHTGZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-26-14-12-16(22-8-6-21-7-9-22)19-17(13-14)23(10-11-27-19)28(24,25)18-5-3-2-4-15(18)20/h2-5,12-13,21H,6-11H2,1H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine?
4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 407.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-6-methoxy-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 22557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).