N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C10H10F3N3O2S2 — CID 125139499

IUPACN-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc([C@@H](NS(=O)(=O)c2cccs2)C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O2S2/c1-16-6-7(5-14-16)9(10(11,12)13)15-20(17,18)8-3-2-4-19-8/h2-6,9,15H,1H3/t9-/m1/s1
InChIKeyWCFJIQUROYUANF-SECBINFHSA-N
MW325.34 g/mol
LogP2.06
Rot. Bonds4

About N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 125139499) has the molecular formula C10H10F3N3O2S2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID125139499
Molecular FormulaC10H10F3N3O2S2
Molecular Weight325.34 g/mol
Exact Mass325.02
IUPAC NameN-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc([C@@H](NS(=O)(=O)c2cccs2)C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O2S2/c1-16-6-7(5-14-16)9(10(11,12)13)15-20(17,18)8-3-2-4-19-8/h2-6,9,15H,1H3/t9-/m1/s1
InChIKeyWCFJIQUROYUANF-SECBINFHSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 125139499) is N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cn1cc([C@@H](NS(=O)(=O)c2cccs2)C(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WCFJIQUROYUANF-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F3N3O2S2/c1-16-6-7(5-14-16)9(10(11,12)13)15-20(17,18)8-3-2-4-19-8/h2-6,9,15H,1H3/t9-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 325.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 125139499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).