N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide

C13H11N3O4S — CID 63823163

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n[nH]1
InChIInChI=1S/C13H11N3O4S/c1-8-6-12(15-14-8)16-21(18,19)10-3-4-11-9(7-10)2-5-13(17)20-11/h2-7H,1H3,(H2,14,15,16)
InChIKeyJKAWZEOBHJNSNN-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.63
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide (PubChem CID 63823163) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
PubChem CID63823163
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n[nH]1
InChIInChI=1S/C13H11N3O4S/c1-8-6-12(15-14-8)16-21(18,19)10-3-4-11-9(7-10)2-5-13(17)20-11/h2-7H,1H3,(H2,14,15,16)
InChIKeyJKAWZEOBHJNSNN-UHFFFAOYSA-N
XLogP1.63
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
3-amino-4-ethyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259826
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 63822968
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxochromene-6-sulfonamide
CID 30784509

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide (CID 63823163) is N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide?
The InChIKey is JKAWZEOBHJNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-8-6-12(15-14-8)16-21(18,19)10-3-4-11-9(7-10)2-5-13(17)20-11/h2-7H,1H3,(H2,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 63823163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).