2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid

C11H12F3NO4S2 — CID 61384907

IUPAC2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C11H12F3NO4S2/c12-11(13,14)6-15(7-1-2-7)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,1-2,5-6H2,(H,16,17)
InChIKeyHVZUEPSKCKOHTH-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.09
Rot. Bonds6

About 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 61384907) has the molecular formula C11H12F3NO4S2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID61384907
Molecular FormulaC11H12F3NO4S2
Molecular Weight343.35 g/mol
Exact Mass343.02
IUPAC Name2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C11H12F3NO4S2/c12-11(13,14)6-15(7-1-2-7)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,1-2,5-6H2,(H,16,17)
InChIKeyHVZUEPSKCKOHTH-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221701
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763
4-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55006606
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
2-[5-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 45299021
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835

Frequently Asked Questions

What is the IUPAC name of 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 61384907) is 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is HVZUEPSKCKOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S2/c12-11(13,14)6-15(7-1-2-7)21(18,19)10-4-3-8(20-10)5-9(16)17/h3-4,7H,1-2,5-6H2,(H,16,17).
What are the key properties of 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 61384907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).