5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid

C13H11F2NO4S2 — CID 56816757

IUPAC5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)s1
InChIInChI=1S/C13H11F2NO4S2/c1-2-7-3-4-12(21-7)22(19,20)16-11-5-8(13(17)18)9(14)6-10(11)15/h3-6,16H,2H2,1H3,(H,17,18)
InChIKeyBNSDKPDWAWDYTH-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.09
Rot. Bonds5

About 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid

5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid (PubChem CID 56816757) has the molecular formula C13H11F2NO4S2 and a molecular weight of 347.36 g/mol. Its IUPAC name is 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
PubChem CID56816757
Molecular FormulaC13H11F2NO4S2
Molecular Weight347.36 g/mol
Exact Mass347.01
IUPAC Name5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)s1
InChIInChI=1S/C13H11F2NO4S2/c1-2-7-3-4-12(21-7)22(19,20)16-11-5-8(13(17)18)9(14)6-10(11)15/h3-6,16H,2H2,1H3,(H,17,18)
InChIKeyBNSDKPDWAWDYTH-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid
CID 9543495
3-Benzenesulfonamidobenzoic acid
CID 792201
3-[(3-Methyl-5-propan-2-yl-1-benzothiophen-2-yl)sulfonylamino]benzoic acid
CID 56929810
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
3-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid
CID 285710
ST50134595
CID 697779
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
Methyl 2-methyl-3-[(2-thienylsulfonyl)amino]benzoate
CID 970871
3,5-Bis(thiophene-2-sulfonamido)benzoic acid
CID 4684737
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
5-[(3-Iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314539
5-{[3-(Methoxymethyl)phenyl]sulfamoyl}thiophene-3-carboxylic acid
CID 33821789

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid?
The IUPAC name of 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid (CID 56816757) is 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid.
What is the SMILES notation for 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid?
The canonical SMILES for 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid is CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)c(F)cc2F)s1.
What is the InChIKey of 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid?
The InChIKey is BNSDKPDWAWDYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S2/c1-2-7-3-4-12(21-7)22(19,20)16-11-5-8(13(17)18)9(14)6-10(11)15/h3-6,16H,2H2,1H3,(H,17,18).
What are the key properties of 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid?
5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid has a molecular weight of 347.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid is sourced from PubChem (CID 56816757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).