N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide

C16H13F3N4O3S2 — CID 53083779

IUPACN-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H13F3N4O3S2/c1-9(24)20-10-2-4-11(5-3-10)23-28(25,26)15-7-6-13(27-15)12-8-14(22-21-12)16(17,18)19/h2-8,23H,1H3,(H,20,24)(H,21,22)
InChIKeyLXTIKRUPZIGOMA-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.92
Rot. Bonds5

About N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide

N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide (PubChem CID 53083779) has the molecular formula C16H13F3N4O3S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
PubChem CID53083779
Molecular FormulaC16H13F3N4O3S2
Molecular Weight430.43 g/mol
Exact Mass430.04
IUPAC NameN-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1
InChIInChI=1S/C16H13F3N4O3S2/c1-9(24)20-10-2-4-11(5-3-10)23-28(25,26)15-7-6-13(27-15)12-8-14(22-21-12)16(17,18)19/h2-8,23H,1H3,(H,20,24)(H,21,22)
InChIKeyLXTIKRUPZIGOMA-UHFFFAOYSA-N
XLogP3.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.92
H-Bond Donors ≤ 53
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-ethoxyphenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083736
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
N-(2-fluorophenyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083729
2-methyl-N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396444
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 2814518
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923047
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-(3,4-dimethylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 59631957

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide (CID 53083779) is N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1.
What is the InChIKey of N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide?
The InChIKey is LXTIKRUPZIGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S2/c1-9(24)20-10-2-4-11(5-3-10)23-28(25,26)15-7-6-13(27-15)12-8-14(22-21-12)16(17,18)19/h2-8,23H,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide?
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide has a molecular weight of 430.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 53083779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).