N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C11H10F3N3O3S — CID 63822968

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H10F3N3O3S/c1-7-6-10(16-15-7)17-21(18,19)9-4-2-8(3-5-9)20-11(12,13)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyIXUSYDRNJSNCNA-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.42
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 63822968) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID63822968
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H10F3N3O3S/c1-7-6-10(16-15-7)17-21(18,19)9-4-2-8(3-5-9)20-11(12,13)14/h2-6H,1H3,(H2,15,16,17)
InChIKeyIXUSYDRNJSNCNA-UHFFFAOYSA-N
XLogP2.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2808955
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122297638
3-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55259444
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 63822968) is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IXUSYDRNJSNCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-7-6-10(16-15-7)17-21(18,19)9-4-2-8(3-5-9)20-11(12,13)14/h2-6H,1H3,(H2,15,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 321.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 63822968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).