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

C19H22N4O2S — CID 11046887

IUPAC4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H22N4O2S/c1-2-3-15-22(26(24,25)18-11-9-16(20)10-12-18)19-13-14-21-23(19)17-7-5-4-6-8-17/h4-14H,2-3,15,20H2,1H3
InChIKeyCLXCAWNZTWUVTF-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.45
Rot. Bonds7

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

4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 11046887) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID11046887
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H22N4O2S/c1-2-3-15-22(26(24,25)18-11-9-16(20)10-12-18)19-13-14-21-23(19)17-7-5-4-6-8-17/h4-14H,2-3,15,20H2,1H3
InChIKeyCLXCAWNZTWUVTF-UHFFFAOYSA-N
XLogP3.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.45
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-((5-(Cyclohexylamino)(1,2,4)triazolo(1,5-A)pyrimidin-7-YL)amino)benzenesulfonamide
CID 23586146
4-methyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 10245060
4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 11386640
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-(Pyrimidin-2-yl)-4-(1H-tetrazol-1-yl)benzenesulfonamide
CID 856008
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 11046887) is 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is CCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is CLXCAWNZTWUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-2-3-15-22(26(24,25)18-11-9-16(20)10-12-18)19-13-14-21-23(19)17-7-5-4-6-8-17/h4-14H,2-3,15,20H2,1H3.
What are the key properties of 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 11046887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).