5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide

C10H10ClF6NO2S2 — CID 58953001

IUPAC5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10ClF6NO2S2/c1-2-5(8(9(12,13)14)10(15,16)17)18-22(19,20)7-4-3-6(11)21-7/h3-5,8,18H,2H2,1H3/t5-/m1/s1
InChIKeyGUIBLDCYPPHGER-RXMQYKEDSA-N
MW389.77 g/mol
LogP4.20
Rot. Bonds5

About 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide

5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide (PubChem CID 58953001) has the molecular formula C10H10ClF6NO2S2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
PubChem CID58953001
Molecular FormulaC10H10ClF6NO2S2
Molecular Weight389.77 g/mol
Exact Mass388.97
IUPAC Name5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10ClF6NO2S2/c1-2-5(8(9(12,13)14)10(15,16)17)18-22(19,20)7-4-3-6(11)21-7/h3-5,8,18H,2H2,1H3/t5-/m1/s1
InChIKeyGUIBLDCYPPHGER-RXMQYKEDSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide (CID 58953001) is 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide is CC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The InChIKey is GUIBLDCYPPHGER-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10ClF6NO2S2/c1-2-5(8(9(12,13)14)10(15,16)17)18-22(19,20)7-4-3-6(11)21-7/h3-5,8,18H,2H2,1H3/t5-/m1/s1.
What are the key properties of 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide has a molecular weight of 389.77 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R)-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58953001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).