N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

C17H20N2O4S — CID 22518945

IUPACN-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C17H20N2O4S/c1-12-4-6-16(22-3)14(10-12)18-24(20,21)13-5-7-17-15(11-13)19(2)8-9-23-17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHAFUAODRGRKVOS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.63
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 22518945) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID22518945
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C17H20N2O4S/c1-12-4-6-16(22-3)14(10-12)18-24(20,21)13-5-7-17-15(11-13)19(2)8-9-23-17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHAFUAODRGRKVOS-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 22518945) is N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)N(C)CCO2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is HAFUAODRGRKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-4-6-16(22-3)14(10-12)18-24(20,21)13-5-7-17-15(11-13)19(2)8-9-23-17/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 22518945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).