4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide

C15H12BrN3O2S — CID 1369549

IUPAC4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-19(17-15)13-4-2-1-3-5-13/h1-11H,(H,17,18)
InChIKeyPCUWFOJQVLISFO-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide

4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 1369549) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID1369549
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-19(17-15)13-4-2-1-3-5-13/h1-11H,(H,17,18)
InChIKeyPCUWFOJQVLISFO-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide (CID 1369549) is 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is PCUWFOJQVLISFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-19(17-15)13-4-2-1-3-5-13/h1-11H,(H,17,18).
What are the key properties of 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide?
4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 378.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 1369549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).