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

C13H20N2O3S — CID 82355198

IUPACN,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C)CC(CC)O2
InChIInChI=1S/C13H20N2O3S/c1-4-10-9-15(3)12-8-11(6-7-13(12)18-10)19(16,17)14-5-2/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyHQNALSKUNHTLON-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.59
Rot. Bonds4

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

N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355198) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID82355198
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C)CC(CC)O2
InChIInChI=1S/C13H20N2O3S/c1-4-10-9-15(3)12-8-11(6-7-13(12)18-10)19(16,17)14-5-2/h6-8,10,14H,4-5,9H2,1-3H3
InChIKeyHQNALSKUNHTLON-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-4-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355141
2-[(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354970
N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355251
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
2-[(2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354975
2-ethyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82355156
4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355252
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
2-ethyl-N-prop-2-enyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098746
N-ethyl-3-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82096950
(6-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
CID 82276463
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 82355198) is N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CCNS(=O)(=O)c1ccc2c(c1)N(C)CC(CC)O2.
What is the InChIKey of N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is HQNALSKUNHTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10-9-15(3)12-8-11(6-7-13(12)18-10)19(16,17)14-5-2/h6-8,10,14H,4-5,9H2,1-3H3.
What are the key properties of N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).