2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid

C8H7ClF3NO4S2 — CID 166266131

IUPAC2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESO=C(O)C(CC(F)(F)F)NS(=O)(=O)c1cscc1Cl
InChIInChI=1S/C8H7ClF3NO4S2/c9-4-2-18-3-6(4)19(16,17)13-5(7(14)15)1-8(10,11)12/h2-3,5,13H,1H2,(H,14,15)
InChIKeyCFFDYAMQPJJVQG-UHFFFAOYSA-N
MW337.73 g/mol
LogP2.09
Rot. Bonds5

About 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid

2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid (PubChem CID 166266131) has the molecular formula C8H7ClF3NO4S2 and a molecular weight of 337.73 g/mol. Its IUPAC name is 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
PubChem CID166266131
Molecular FormulaC8H7ClF3NO4S2
Molecular Weight337.73 g/mol
Exact Mass336.95
IUPAC Name2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
SMILESO=C(O)C(CC(F)(F)F)NS(=O)(=O)c1cscc1Cl
InChIInChI=1S/C8H7ClF3NO4S2/c9-4-2-18-3-6(4)19(16,17)13-5(7(14)15)1-8(10,11)12/h2-3,5,13H,1H2,(H,14,15)
InChIKeyCFFDYAMQPJJVQG-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
CID 139003959
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]pent-4-ynoic acid
CID 103087832
(2R)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751470
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3856640
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid (CID 166266131) is 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid is O=C(O)C(CC(F)(F)F)NS(=O)(=O)c1cscc1Cl.
What is the InChIKey of 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
The InChIKey is CFFDYAMQPJJVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO4S2/c9-4-2-18-3-6(4)19(16,17)13-5(7(14)15)1-8(10,11)12/h2-3,5,13H,1H2,(H,14,15).
What are the key properties of 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid?
2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid has a molecular weight of 337.73 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothiophen-3-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 166266131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).