4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide

C11H13N5O3S — CID 60809576

IUPAC4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)n1
InChIInChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-4-2-7(3-5-8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17)
InChIKeyGEYZOKIZPAPEAO-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.10
Rot. Bonds4

About 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide

4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 60809576) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID60809576
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)n1
InChIInChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-4-2-7(3-5-8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17)
InChIKeyGEYZOKIZPAPEAO-UHFFFAOYSA-N
XLogP-0.10
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
CID 107786922
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide (CID 60809576) is 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide is Cn1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(N)n1.
What is the InChIKey of 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is GEYZOKIZPAPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-4-2-7(3-5-8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17).
What are the key properties of 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 295.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 60809576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).