4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide

C15H13BrN4O2S — CID 162674932

IUPAC4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-1-5-13(6-2-11)20-15(9-10-18-20)19-23(21,22)14-7-3-12(17)4-8-14/h1-10,19H,17H2
InChIKeyPBFPTXOJHBVPJD-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide

4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 162674932) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID162674932
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-1-5-13(6-2-11)20-15(9-10-18-20)19-23(21,22)14-7-3-12(17)4-8-14/h1-10,19H,17H2
InChIKeyPBFPTXOJHBVPJD-UHFFFAOYSA-N
XLogP3.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide (CID 162674932) is 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is PBFPTXOJHBVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c16-11-1-5-13(6-2-11)20-15(9-10-18-20)19-23(21,22)14-7-3-12(17)4-8-14/h1-10,19H,17H2.
What are the key properties of 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide?
4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 162674932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).