2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

C10H7BrF3N3O2S — CID 71845770

IUPAC2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccccc1Br
InChIInChI=1S/C10H7BrF3N3O2S/c11-6-3-1-2-4-7(6)20(18,19)17-9-5-8(15-16-9)10(12,13)14/h1-5H,(H2,15,16,17)
InChIKeyOEODUJJQYSTNPC-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.99
Rot. Bonds3

About 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide

2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 71845770) has the molecular formula C10H7BrF3N3O2S and a molecular weight of 370.15 g/mol. Its IUPAC name is 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID71845770
Molecular FormulaC10H7BrF3N3O2S
Molecular Weight370.15 g/mol
Exact Mass368.94
IUPAC Name2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccccc1Br
InChIInChI=1S/C10H7BrF3N3O2S/c11-6-3-1-2-4-7(6)20(18,19)17-9-5-8(15-16-9)10(12,13)14/h1-5H,(H2,15,16,17)
InChIKeyOEODUJJQYSTNPC-UHFFFAOYSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 71845770) is 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)[nH]n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is OEODUJJQYSTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O2S/c11-6-3-1-2-4-7(6)20(18,19)17-9-5-8(15-16-9)10(12,13)14/h1-5H,(H2,15,16,17).
What are the key properties of 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide?
2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 370.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71845770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).