6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide

C15H18N4O4S — CID 171134130

IUPAC6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)Nc1cnn(C(C)C)c1)OCC(=O)N2
InChIInChI=1S/C15H18N4O4S/c1-9(2)19-7-11(6-16-19)18-24(21,22)14-5-13-12(4-10(14)3)17-15(20)8-23-13/h4-7,9,18H,8H2,1-3H3,(H,17,20)
InChIKeyDKDHJUGSRDBRRP-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.90
Rot. Bonds4

About 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide

6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 171134130) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID171134130
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)Nc1cnn(C(C)C)c1)OCC(=O)N2
InChIInChI=1S/C15H18N4O4S/c1-9(2)19-7-11(6-16-19)18-24(21,22)14-5-13-12(4-10(14)3)17-15(20)8-23-13/h4-7,9,18H,8H2,1-3H3,(H,17,20)
InChIKeyDKDHJUGSRDBRRP-UHFFFAOYSA-N
XLogP1.90
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260
N-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055488
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548322
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 139019096
6-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 46273336
5-(aminomethyl)-2-bromo-N-(1-propan-2-ylpyrazol-4-yl)thiophene-3-sulfonamide
CID 106056815
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92683774
6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144
N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 6624217
N-[2-(4-chlorophenyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548331

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide (CID 171134130) is 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)Nc1cnn(C(C)C)c1)OCC(=O)N2.
What is the InChIKey of 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is DKDHJUGSRDBRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-9(2)19-7-11(6-16-19)18-24(21,22)14-5-13-12(4-10(14)3)17-15(20)8-23-13/h4-7,9,18H,8H2,1-3H3,(H,17,20).
What are the key properties of 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide?
6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 171134130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).