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

C12H18N2O3S — CID 82355252

IUPAC4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21
InChIInChI=1S/C12H18N2O3S/c1-4-14-8-9(2)17-12-6-5-10(7-11(12)14)18(15,16)13-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyXOTHXJGNHDFPAE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.20
Rot. Bonds3

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

4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355252) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
PubChem CID82355252
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
SMILESCCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21
InChIInChI=1S/C12H18N2O3S/c1-4-14-8-9(2)17-12-6-5-10(7-11(12)14)18(15,16)13-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyXOTHXJGNHDFPAE-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,2-dimethyl-4-propyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355251
2-[(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]acetic acid
CID 82354970
6-chloro-2-methyl-4-(3-methylsulfonylpropyl)-2,3-dihydro-1,4-benzoxazine
CID 71988639
N,2-diethyl-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 82355198
2-(6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 82025514
4-acetyl-N-(3-fluoro-4-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 20902839
3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(2-methylphenyl)propanoic acid
CID 24794000
4-acetyl-N-(5-chloro-2-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 20902819
4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
CID 82025300
4-amino-N-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 82898767
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82142924

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide (CID 82355252) is 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is CCN1CC(C)Oc2ccc(S(=O)(=O)NC)cc21.
What is the InChIKey of 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
The InChIKey is XOTHXJGNHDFPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14-8-9(2)17-12-6-5-10(7-11(12)14)18(15,16)13-3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide?
4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,2-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).