N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H16F3N3O3S2 — CID 155801460

IUPACN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCn1cc(-c2ccc(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)cn1
InChIInChI=1S/C17H16F3N3O3S2/c1-23-11-12(10-21-23)16-7-4-14(27-16)8-9-22-28(24,25)15-5-2-13(3-6-15)26-17(18,19)20/h2-7,10-11,22H,8-9H2,1H3
InChIKeyFQHPZGUDJJERLB-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155801460) has the molecular formula C17H16F3N3O3S2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID155801460
Molecular FormulaC17H16F3N3O3S2
Molecular Weight431.46 g/mol
Exact Mass431.06
IUPAC NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCn1cc(-c2ccc(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)cn1
InChIInChI=1S/C17H16F3N3O3S2/c1-23-11-12(10-21-23)16-7-4-14(27-16)8-9-22-28(24,25)15-5-2-13(3-6-15)26-17(18,19)20/h2-7,10-11,22H,8-9H2,1H3
InChIKeyFQHPZGUDJJERLB-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
methyl 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethylcarbamoyl]benzoate
CID 155801169
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 155801253
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60707327
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 155801460) is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide is Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)cn1.
What is the InChIKey of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FQHPZGUDJJERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S2/c1-23-11-12(10-21-23)16-7-4-14(27-16)8-9-22-28(24,25)15-5-2-13(3-6-15)26-17(18,19)20/h2-7,10-11,22H,8-9H2,1H3.
What are the key properties of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 431.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155801460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).