2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H9ClFNO4S2 — CID 29080256

IUPAC2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1
InChIInChI=1S/C12H9ClFNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyKAOYXBRMMGIUQD-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.97
Rot. Bonds5

About 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 29080256) has the molecular formula C12H9ClFNO4S2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID29080256
Molecular FormulaC12H9ClFNO4S2
Molecular Weight349.79 g/mol
Exact Mass348.96
IUPAC Name2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1
InChIInChI=1S/C12H9ClFNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17)
InChIKeyKAOYXBRMMGIUQD-UHFFFAOYSA-N
XLogP2.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
2-[5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 65479671
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035
2-[5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 28546366
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 29080256) is 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)s1.
What is the InChIKey of 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is KAOYXBRMMGIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4S2/c13-9-5-7(14)1-3-10(9)15-21(18,19)12-4-2-8(20-12)6-11(16)17/h1-5,15H,6H2,(H,16,17).
What are the key properties of 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 349.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 29080256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).