4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide

C18H20N4O2S — CID 11100382

IUPAC4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3
InChIKeyXBGCSAANSNGXGH-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.06
Rot. Bonds5

About 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide

4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 11100382) 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-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID11100382
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3
InChIKeyXBGCSAANSNGXGH-UHFFFAOYSA-N
XLogP3.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide (CID 11100382) is 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XBGCSAANSNGXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3.
What are the key properties of 4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide?
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.06, 5 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 11100382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).