4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C15H13BrN4O2S — CID 6539624

IUPAC4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyUVWRLACHEXXROY-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.23
Rot. Bonds4

About 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539624) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539624
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyUVWRLACHEXXROY-UHFFFAOYSA-N
XLogP3.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539624) is 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is UVWRLACHEXXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-12-4-6-13(7-5-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-bromophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).