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

C16H14F3N3O3S2 — CID 53083734

IUPACN-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H14F3N3O3S2/c1-25-11-4-2-10(3-5-11)9-20-27(23,24)15-7-6-13(26-15)12-8-14(22-21-12)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyMISKODNDPPUMFM-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.64
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53083734) has the molecular formula C16H14F3N3O3S2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID53083734
Molecular FormulaC16H14F3N3O3S2
Molecular Weight417.43 g/mol
Exact Mass417.04
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H14F3N3O3S2/c1-25-11-4-2-10(3-5-11)9-20-27(23,24)15-7-6-13(26-15)12-8-14(22-21-12)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyMISKODNDPPUMFM-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
N-(4-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083736
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947504
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
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
N-(2,4-dimethoxyphenyl)-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396381
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396427
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
4-amino-5-chloro-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 146421787
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 53083734) is N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is MISKODNDPPUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S2/c1-25-11-4-2-10(3-5-11)9-20-27(23,24)15-7-6-13(26-15)12-8-14(22-21-12)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 417.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53083734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).