N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide

C12H16N4O2S — CID 63234157

IUPACN-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-7-16(11-5-3-10(13)4-6-11)19(17,18)12-8-14-15-9-12/h3-6,8-9H,2,7,13H2,1H3,(H,14,15)
InChIKeyLLRFEHMWUZFKFP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.60
Rot. Bonds5

About N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide

N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 63234157) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID63234157
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-7-16(11-5-3-10(13)4-6-11)19(17,18)12-8-14-15-9-12/h3-6,8-9H,2,7,13H2,1H3,(H,14,15)
InChIKeyLLRFEHMWUZFKFP-UHFFFAOYSA-N
XLogP1.60
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-(4-aminophenyl)-5-fluoro-N-propylpyridine-3-sulfonamide
CID 63234070
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
3-[N-(1H-pyrazol-4-ylsulfonyl)anilino]propanethioamide
CID 60916237
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 61008222
N-(4-aminophenyl)-3,5-dimethyl-N-propyl-1,2-oxazole-4-sulfonamide
CID 63233772
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide (CID 63234157) is N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LLRFEHMWUZFKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-7-16(11-5-3-10(13)4-6-11)19(17,18)12-8-14-15-9-12/h3-6,8-9H,2,7,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide?
N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63234157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).