5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide

C9H8ClF6NO2S2 — CID 87610068

IUPAC5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8ClF6NO2S2/c1-4(7(8(11,12)13)9(14,15)16)17-21(18,19)6-3-2-5(10)20-6/h2-4,7,17H,1H3
InChIKeyRCHQFKBSVRAADV-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.81
Rot. Bonds4

About 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 87610068) has the molecular formula C9H8ClF6NO2S2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID87610068
Molecular FormulaC9H8ClF6NO2S2
Molecular Weight375.74 g/mol
Exact Mass374.96
IUPAC Name5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8ClF6NO2S2/c1-4(7(8(11,12)13)9(14,15)16)17-21(18,19)6-3-2-5(10)20-6/h2-4,7,17H,1H3
InChIKeyRCHQFKBSVRAADV-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide (CID 87610068) is 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is RCHQFKBSVRAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF6NO2S2/c1-4(7(8(11,12)13)9(14,15)16)17-21(18,19)6-3-2-5(10)20-6/h2-4,7,17H,1H3.
What are the key properties of 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 375.74 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 87610068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).