N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide

C11H10F3N3O2S — CID 3730633

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)n(C)n1
InChIInChI=1S/C11H10F3N3O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-5,16H,1-2H3
InChIKeyUPTHTODYYJZLIR-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.95
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide

N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 3730633) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID3730633
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)n(C)n1
InChIInChI=1S/C11H10F3N3O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-5,16H,1-2H3
InChIKeyUPTHTODYYJZLIR-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 54921964
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375
5-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 61016944
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
CID 43318275
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3673892
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide (CID 3730633) is N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is UPTHTODYYJZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-6-5-9(17(2)15-6)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-5,16H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 3730633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).