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

C18H18F3N3O2S2 — CID 68656573

IUPACN-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C18H18F3N3O2S2/c1-4-24(13-7-5-6-12(2)10-13)28(25,26)17-9-8-15(27-17)14-11-16(18(19,20)21)23(3)22-14/h5-11H,4H2,1-3H3
InChIKeyHMUDEBHQZJPIQL-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.69
Rot. Bonds5

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

N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 68656573) has the molecular formula C18H18F3N3O2S2 and a molecular weight of 429.49 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID68656573
Molecular FormulaC18H18F3N3O2S2
Molecular Weight429.49 g/mol
Exact Mass429.08
IUPAC NameN-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
InChIInChI=1S/C18H18F3N3O2S2/c1-4-24(13-7-5-6-12(2)10-13)28(25,26)17-9-8-15(27-17)14-11-16(18(19,20)21)23(3)22-14/h5-11H,4H2,1-3H3
InChIKeyHMUDEBHQZJPIQL-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 68656573) is N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is HMUDEBHQZJPIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S2/c1-4-24(13-7-5-6-12(2)10-13)28(25,26)17-9-8-15(27-17)14-11-16(18(19,20)21)23(3)22-14/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 68656573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).