4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C9H12N2O3S — CID 82355339

IUPAC4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C9H12N2O3S/c1-11-4-5-14-9-3-2-7(6-8(9)11)15(10,12)13/h2-3,6H,4-5H2,1H3,(H2,10,12,13)
InChIKeyHFAUGJRUKQKZMS-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.16
Rot. Bonds1

About 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355339) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID82355339
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C9H12N2O3S/c1-11-4-5-14-9-3-2-7(6-8(9)11)15(10,12)13/h2-3,6H,4-5H2,1H3,(H2,10,12,13)
InChIKeyHFAUGJRUKQKZMS-UHFFFAOYSA-N
XLogP0.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 82355339) is 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CN1CCOc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is HFAUGJRUKQKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11-4-5-14-9-3-2-7(6-8(9)11)15(10,12)13/h2-3,6H,4-5H2,1H3,(H2,10,12,13).
What are the key properties of 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).