2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

C13H11ClFNO4S2 — CID 5296328

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNO4S2/c14-11-5-6-12(21-11)22(19,20)16-10(13(17)18)7-8-1-3-9(15)4-2-8/h1-6,10,16H,7H2,(H,17,18)
InChIKeyCJPHWVSMONIVLR-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.51
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 5296328) has the molecular formula C13H11ClFNO4S2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
PubChem CID5296328
Molecular FormulaC13H11ClFNO4S2
Molecular Weight363.82 g/mol
Exact Mass362.98
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClFNO4S2/c14-11-5-6-12(21-11)22(19,20)16-10(13(17)18)7-8-1-3-9(15)4-2-8/h1-6,10,16H,7H2,(H,17,18)
InChIKeyCJPHWVSMONIVLR-UHFFFAOYSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-phenylcyclopropanecarboxylic acid
CID 46882632
(1S,2R)-1-(5-(3-chlorophenyl)thiophene-2-sulfonamido)-2-phenylcyclopropanecarboxylic acid
CID 46882633
Methyl 3-(2-chlorophenyl)-3-[(2-thienylsulfonyl)amino]propanoate
CID 3711111
3-Phenyl-2-(thiophene-2-sulfonylamino)-propionic acid
CID 3144942
trans-(1S,2R)-1-[[5-(2-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 46882634
4-[5-[1-[(4-Chlorophenyl)sulfonylamino]-5,5,6,6,6-pentafluorohexyl]thiophen-2-yl]butanoic acid
CID 44214445
4-[5-[1-[(4-Chlorophenyl)sulfonylamino]-5,5,6,6,7,7,7-heptafluoroheptyl]thiophen-2-yl]butanoic acid
CID 44214450
3-[(5-Chlorothiophen-2-yl)sulfonylamino]-3-phenylpropanoic acid
CID 16024483
5-Chloro-n-((2s,3r)-3-(3,5-difluorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 57552320
Propionic acid, 3-(4-fluorophenyl)-2-(thiophene-2-sulfonylamino)-
CID 5296326
4-[5-[1-[(4-Chlorophenyl)sulfonylamino]-5-methylhexyl]thiophen-2-yl]butanoic acid
CID 9804178
4-[5-[1-[(4-Chlorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 9889646

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (CID 5296328) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is CJPHWVSMONIVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO4S2/c14-11-5-6-12(21-11)22(19,20)16-10(13(17)18)7-8-1-3-9(15)4-2-8/h1-6,10,16H,7H2,(H,17,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 363.82 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 5296328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).