N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

C10H7BrF3N3O2S — CID 4225321

IUPACN-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7BrF3N3O2S/c11-7-5-15-16-9(7)17-20(18,19)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16,17)
InChIKeyPRZQPPSSUQDAOD-UHFFFAOYSA-N
MW370.15 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 4225321) has the molecular formula C10H7BrF3N3O2S and a molecular weight of 370.15 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID4225321
Molecular FormulaC10H7BrF3N3O2S
Molecular Weight370.15 g/mol
Exact Mass368.94
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1Br)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7BrF3N3O2S/c11-7-5-15-16-9(7)17-20(18,19)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16,17)
InChIKeyPRZQPPSSUQDAOD-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 N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 4225321) is N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1Br)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PRZQPPSSUQDAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O2S/c11-7-5-15-16-9(7)17-20(18,19)8-4-2-1-3-6(8)10(12,13)14/h1-5H,(H2,15,16,17).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)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 N-(4-bromo-1H-pyrazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4225321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).