4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C16H16N4O2S — CID 10925491

IUPAC4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O2S/c1-19(23(21,22)15-9-7-13(17)8-10-15)16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12H,17H2,1H3
InChIKeySVRQHLJTMFHCPE-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10925491) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10925491
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O2S/c1-19(23(21,22)15-9-7-13(17)8-10-15)16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12H,17H2,1H3
InChIKeySVRQHLJTMFHCPE-UHFFFAOYSA-N
XLogP2.28
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfaphenazole
CID 5335
Sulfazamet
CID 13326
4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
4-(5-Diethylamino-[1,2,4]triazolo[1,5-a]pyrimidine-7-ylamino)-benzenesulfonamide
CID 23645577
N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 447297
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 2104462
4-Allyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 11013215
N4-Acetylsulfaphenazole
CID 3083651
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
CID 11100382
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
4-[5-[(E)-benzylideneamino]-4-cyanopyrazol-1-yl]benzenesulfonamide
CID 155521710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10925491) is 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is CN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SVRQHLJTMFHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-19(23(21,22)15-9-7-13(17)8-10-15)16-11-12-18-20(16)14-5-3-2-4-6-14/h2-12H,17H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10925491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).