1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine

C15H12BrN3O2S — CID 2236864

IUPAC1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-6-8-13(9-7-12)22(20,21)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyNMORPQBKPLJFQM-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine

1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 2236864) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID2236864
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccc(Br)cc2)cc1-c1ccccc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-6-8-13(9-7-12)22(20,21)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyNMORPQBKPLJFQM-UHFFFAOYSA-N
XLogP3.13
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 2236864) is 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccc(Br)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is NMORPQBKPLJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-12-6-8-13(9-7-12)22(20,21)19-10-14(15(17)18-19)11-4-2-1-3-5-11/h1-10H,(H2,17,18).
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine has a molecular weight of 378.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-phenylpyrazol-3-amine is sourced from PubChem (CID 2236864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).