1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

C12H12F3N3O3S — CID 22203300

IUPAC1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1C
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(7-16-18(8)2)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyTUNWWWFHJPANNM-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.43
Rot. Bonds4

About 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (PubChem CID 22203300) has the molecular formula C12H12F3N3O3S and a molecular weight of 335.31 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
PubChem CID22203300
Molecular FormulaC12H12F3N3O3S
Molecular Weight335.31 g/mol
Exact Mass335.06
IUPAC Name1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1C
InChIInChI=1S/C12H12F3N3O3S/c1-8-11(7-16-18(8)2)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3
InChIKeyTUNWWWFHJPANNM-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 17375979
2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 17024466
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
CID 53154873
1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
CID 22203774

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (CID 22203300) is 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The InChIKey is TUNWWWFHJPANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3S/c1-8-11(7-16-18(8)2)22(19,20)17-9-3-5-10(6-4-9)21-12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide has a molecular weight of 335.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22203300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).