N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C16H11F6N3O2S2 — CID 42285211

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccs2)n1
InChIInChI=1S/C16H11F6N3O2S2/c1-25-8-13(14(23-25)12-3-2-4-28-12)29(26,27)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-8,24H,1H3
InChIKeyWEMVCDISJFYWOR-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.99
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285211) has the molecular formula C16H11F6N3O2S2 and a molecular weight of 455.41 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285211
Molecular FormulaC16H11F6N3O2S2
Molecular Weight455.41 g/mol
Exact Mass455.02
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccs2)n1
InChIInChI=1S/C16H11F6N3O2S2/c1-25-8-13(14(23-25)12-3-2-4-28-12)29(26,27)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-8,24H,1H3
InChIKeyWEMVCDISJFYWOR-UHFFFAOYSA-N
XLogP4.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349956
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285211) is N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccs2)n1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is WEMVCDISJFYWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2S2/c1-25-8-13(14(23-25)12-3-2-4-28-12)29(26,27)24-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-8,24H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 455.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).