N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C18H22N2O3S — CID 22550814

IUPACN-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)N(C)CCO2
InChIInChI=1S/C18H22N2O3S/c1-4-20(15-8-6-5-7-9-15)24(21,22)18-13-17-16(12-14(18)2)19(3)10-11-23-17/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyVWBHUAXSMQTSFG-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 22550814) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID22550814
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)N(C)CCO2
InChIInChI=1S/C18H22N2O3S/c1-4-20(15-8-6-5-7-9-15)24(21,22)18-13-17-16(12-14(18)2)19(3)10-11-23-17/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyVWBHUAXSMQTSFG-UHFFFAOYSA-N
XLogP3.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 22550814) is N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)N(C)CCO2.
What is the InChIKey of N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is VWBHUAXSMQTSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-20(15-8-6-5-7-9-15)24(21,22)18-13-17-16(12-14(18)2)19(3)10-11-23-17/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22550814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).