5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide

C10H13ClF3NO3S2 — CID 72786260

IUPAC5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(CC(F)(F)F)C(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3
InChIKeyUJIHZLJAUMPTFR-UHFFFAOYSA-N
MW351.80 g/mol
LogP2.63
Rot. Bonds6

About 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide

5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 72786260) has the molecular formula C10H13ClF3NO3S2 and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID72786260
Molecular FormulaC10H13ClF3NO3S2
Molecular Weight351.80 g/mol
Exact Mass351.00
IUPAC Name5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(CC(F)(F)F)C(CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3
InChIKeyUJIHZLJAUMPTFR-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
5-chloro-N-(1-hydroxy-3-phenylmethoxybutan-2-yl)thiophene-2-sulfonamide
CID 22500794
(2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol;5-chlorothiophene-2-sulfonyl chloride;5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide;methane;hydrochloride
CID 159664258
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809
5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 22500888
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide (CID 72786260) is 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide is CC(CC(F)(F)F)C(CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is UJIHZLJAUMPTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3.
What are the key properties of 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 351.80 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 72786260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).