5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H10Cl2F3N3O2S — CID 5018231

IUPAC5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H10Cl2F3N3O2S/c1-6-10(11(14)20(2)18-6)23(21,22)19-9-5-7(12(15,16)17)3-4-8(9)13/h3-5,19H,1-2H3
InChIKeyZGGZDKFGLFWZKA-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.85
Rot. Bonds3

About 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 5018231) has the molecular formula C12H10Cl2F3N3O2S and a molecular weight of 388.20 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID5018231
Molecular FormulaC12H10Cl2F3N3O2S
Molecular Weight388.20 g/mol
Exact Mass386.98
IUPAC Name5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H10Cl2F3N3O2S/c1-6-10(11(14)20(2)18-6)23(21,22)19-9-5-7(12(15,16)17)3-4-8(9)13/h3-5,19H,1-2H3
InChIKeyZGGZDKFGLFWZKA-UHFFFAOYSA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 5018231) is 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZGGZDKFGLFWZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3N3O2S/c1-6-10(11(14)20(2)18-6)23(21,22)19-9-5-7(12(15,16)17)3-4-8(9)13/h3-5,19H,1-2H3.
What are the key properties of 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 388.20 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 5018231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).