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

C16H14F3N3O3S2 — CID 53083736

IUPACN-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H14F3N3O3S2/c1-2-25-11-5-3-10(4-6-11)22-27(23,24)15-8-7-13(26-15)12-9-14(21-20-12)16(17,18)19/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyMFQRTMIEHLNAOQ-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.36
Rot. Bonds6

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

N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53083736) has the molecular formula C16H14F3N3O3S2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID53083736
Molecular FormulaC16H14F3N3O3S2
Molecular Weight417.43 g/mol
Exact Mass417.04
IUPAC NameN-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H14F3N3O3S2/c1-2-25-11-5-3-10(4-6-11)22-27(23,24)15-8-7-13(26-15)12-9-14(21-20-12)16(17,18)19/h3-9,22H,2H2,1H3,(H,20,21)
InChIKeyMFQRTMIEHLNAOQ-UHFFFAOYSA-N
XLogP4.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083788
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 53083779
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 53083736) is N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is MFQRTMIEHLNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S2/c1-2-25-11-5-3-10(4-6-11)22-27(23,24)15-8-7-13(26-15)12-9-14(21-20-12)16(17,18)19/h3-9,22H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 417.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53083736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).