N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

C17H15ClF3N3O2S2 — CID 46396391

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O2S2/c1-10-15(9-14(27-10)13-8-16(24-23-13)17(19,20)21)28(25,26)22-7-6-11-2-4-12(18)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,23,24)
InChIKeyPZEPCEWUESHQOA-UHFFFAOYSA-N
MW449.91 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide

N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396391) has the molecular formula C17H15ClF3N3O2S2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396391
Molecular FormulaC17H15ClF3N3O2S2
Molecular Weight449.91 g/mol
Exact Mass449.02
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O2S2/c1-10-15(9-14(27-10)13-8-16(24-23-13)17(19,20)21)28(25,26)22-7-6-11-2-4-12(18)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,23,24)
InChIKeyPZEPCEWUESHQOA-UHFFFAOYSA-N
XLogP4.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396427
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 46396421
2-methyl-5-(5-methyl-1H-pyrazol-3-yl)-N-(3-phenylpropyl)thiophene-3-sulfonamide
CID 53138845
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396414
N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 50842581
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
2-methyl-N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840224
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396391) is N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is PZEPCEWUESHQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2S2/c1-10-15(9-14(27-10)13-8-16(24-23-13)17(19,20)21)28(25,26)22-7-6-11-2-4-12(18)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 449.91 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).