2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H12N4O2S — CID 113433424

IUPAC2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H12N4O2S/c1-7-6-12-13-10(7)14-17(15,16)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyIGLABHOSMQIJBC-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113433424) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113433424
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H12N4O2S/c1-7-6-12-13-10(7)14-17(15,16)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyIGLABHOSMQIJBC-UHFFFAOYSA-N
XLogP1.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
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
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 107406911
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4,5-dimethylbenzenesulfonamide
CID 104617260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113433424) is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is IGLABHOSMQIJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-6-12-13-10(7)14-17(15,16)9-5-3-2-4-8(9)11/h2-6H,11H2,1H3,(H2,12,13,14).
What are the key properties of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113433424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).