N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C10H12N2O4S — CID 82355229

IUPACN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C10H12N2O4S/c1-6-10(13)12-8-5-7(17(14,15)11-2)3-4-9(8)16-6/h3-6,11H,1-2H3,(H,12,13)
InChIKeyWQCIWSAAENSKJC-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.31
Rot. Bonds2

About N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82355229) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID82355229
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C10H12N2O4S/c1-6-10(13)12-8-5-7(17(14,15)11-2)3-4-9(8)16-6/h3-6,11H,1-2H3,(H,12,13)
InChIKeyWQCIWSAAENSKJC-UHFFFAOYSA-N
XLogP0.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
(2R)-N-(3-methoxypropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 51497441
2-methyl-6-propylsulfonyl-4H-1,4-benzoxazin-3-one
CID 82233482
3,4-difluoro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844849
(2S)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831027
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 110210997
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
(2R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831048
(2S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831049
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962904
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8844810
(2S)-2-methyl-3-oxo-N-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 100831044

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 82355229) is N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is WQCIWSAAENSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-6-10(13)12-8-5-7(17(14,15)11-2)3-4-9(8)16-6/h3-6,11H,1-2H3,(H,12,13).
What are the key properties of N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82355229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).