4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H11F3N2O2S2 — CID 55006606

IUPAC4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)5-14(7-1-2-7)18(15,16)8-3-6(13)4-17-8/h3-4,7H,1-2,5,13H2
InChIKeyFUQPPTZOWUIDNJ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.05
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 55006606) has the molecular formula C9H11F3N2O2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID55006606
Molecular FormulaC9H11F3N2O2S2
Molecular Weight300.33 g/mol
Exact Mass300.02
IUPAC Name4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)5-14(7-1-2-7)18(15,16)8-3-6(13)4-17-8/h3-4,7H,1-2,5,13H2
InChIKeyFUQPPTZOWUIDNJ-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61300173
4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide
CID 61299596
4-amino-N-cyclohexyl-N-methylthiophene-2-sulfonamide
CID 61300333
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384907
4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 61301523
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
4-amino-N-(cyclopropylmethyl)-N-ethylthiophene-2-sulfonamide
CID 63955111
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 63226058
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 55006606) is 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is FUQPPTZOWUIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S2/c10-9(11,12)5-14(7-1-2-7)18(15,16)8-3-6(13)4-17-8/h3-4,7H,1-2,5,13H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 300.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55006606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).