N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C14H16N4O4S — CID 16673059

IUPACN-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C
InChIInChI=1S/C14H16N4O4S/c1-3-18-9(2)6-13(16-18)17-23(20,21)10-4-5-12-11(7-10)15-14(19)8-22-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyFENTYWBKDYZZCA-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.34
Rot. Bonds4

About N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16673059) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16673059
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C
InChIInChI=1S/C14H16N4O4S/c1-3-18-9(2)6-13(16-18)17-23(20,21)10-4-5-12-11(7-10)15-14(19)8-22-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyFENTYWBKDYZZCA-UHFFFAOYSA-N
XLogP1.34
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Related Compounds

N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 87757519
ethyl N-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]carbamate
CID 18270098
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 51497493
N-[2-(methylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 62658542
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
3-oxo-N-(5-pyrimidin-5-yl-2-pyridinyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 167959495
N-[3-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 43606655
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16673059) is N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is CCn1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is FENTYWBKDYZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-3-18-9(2)6-13(16-18)17-23(20,21)10-4-5-12-11(7-10)15-14(19)8-22-12/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 336.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16673059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).