4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide

C18H20N4O2S — CID 10861208

IUPAC4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-14-21(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-22(18)16-6-4-3-5-7-16/h3-13H,2,14,19H2,1H3
InChIKeyICXQTQDYWSHSOZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.06
Rot. Bonds6

About 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide

4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide (PubChem CID 10861208) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide
PubChem CID10861208
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-14-21(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-22(18)16-6-4-3-5-7-16/h3-13H,2,14,19H2,1H3
InChIKeyICXQTQDYWSHSOZ-UHFFFAOYSA-N
XLogP3.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide (CID 10861208) is 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide is CCCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide?
The InChIKey is ICXQTQDYWSHSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-14-21(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-22(18)16-6-4-3-5-7-16/h3-13H,2,14,19H2,1H3.
What are the key properties of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide?
4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylpyrazol-3-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 10861208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).