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

C16H14F3N3O2S2 — CID 59632591

IUPACN-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1
InChIInChI=1S/C16H14F3N3O2S2/c1-10-3-5-11(6-4-10)21-26(23,24)15-8-7-13(25-15)12-9-14(16(17,18)19)22(2)20-12/h3-9,21H,1-2H3
InChIKeyLGICDOQTGKOUHI-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.28
Rot. Bonds4

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

N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 59632591) has the molecular formula C16H14F3N3O2S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID59632591
Molecular FormulaC16H14F3N3O2S2
Molecular Weight401.44 g/mol
Exact Mass401.05
IUPAC NameN-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1
InChIInChI=1S/C16H14F3N3O2S2/c1-10-3-5-11(6-4-10)21-26(23,24)15-8-7-13(25-15)12-9-14(16(17,18)19)22(2)20-12/h3-9,21H,1-2H3
InChIKeyLGICDOQTGKOUHI-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 59632591) is N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is LGICDOQTGKOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S2/c1-10-3-5-11(6-4-10)21-26(23,24)15-8-7-13(25-15)12-9-14(16(17,18)19)22(2)20-12/h3-9,21H,1-2H3.
What are the key properties of N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59632591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).