3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide

C11H13N5O3S — CID 104617145

IUPAC3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H13N5O3S/c1-6-5-14-15-11(6)16-20(18,19)9-3-2-7(10(13)17)4-8(9)12/h2-5H,12H2,1H3,(H2,13,17)(H2,14,15,16)
InChIKeyYICMSNUYLYPUPZ-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide

3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide (PubChem CID 104617145) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
PubChem CID104617145
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H13N5O3S/c1-6-5-14-15-11(6)16-20(18,19)9-3-2-7(10(13)17)4-8(9)12/h2-5H,12H2,1H3,(H2,13,17)(H2,14,15,16)
InChIKeyYICMSNUYLYPUPZ-UHFFFAOYSA-N
XLogP0.20
TPSA143.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide (CID 104617145) is 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide is Cc1cn[nH]c1NS(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide?
The InChIKey is YICMSNUYLYPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-6-5-14-15-11(6)16-20(18,19)9-3-2-7(10(13)17)4-8(9)12/h2-5H,12H2,1H3,(H2,13,17)(H2,14,15,16).
What are the key properties of 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide?
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide has a molecular weight of 295.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide is sourced from PubChem (CID 104617145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).