2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide

C11H13N5O3S — CID 60809611

IUPAC2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(N)n1
InChIInChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-5-3-2-4-7(8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17)
InChIKeyGRKOKJZFJPIWPD-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide

2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 60809611) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID60809611
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(N)n1
InChIInChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-5-3-2-4-7(8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17)
InChIKeyGRKOKJZFJPIWPD-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-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide (CID 60809611) is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide is Cn1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(N)n1.
What is the InChIKey of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is GRKOKJZFJPIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-16-6-9(10(12)14-16)20(18,19)15-8-5-3-2-4-7(8)11(13)17/h2-6,15H,1H3,(H2,12,14)(H2,13,17).
What are the key properties of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide?
2-[(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 2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 60809611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).