2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid

C12H9Cl2NO4S2 — CID 65345578

IUPAC2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c13-10-6-9(12(14)20-10)21(18,19)15-8-3-1-2-7(4-8)5-11(16)17/h1-4,6,15H,5H2,(H,16,17)
InChIKeySZCUTWSNIQWAQJ-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.48
Rot. Bonds5

About 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid

2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 65345578) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
PubChem CID65345578
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c13-10-6-9(12(14)20-10)21(18,19)15-8-3-1-2-7(4-8)5-11(16)17/h1-4,6,15H,5H2,(H,16,17)
InChIKeySZCUTWSNIQWAQJ-UHFFFAOYSA-N
XLogP3.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
N-benzyl-2,5-dichlorothiophene-3-sulfonamide
CID 39791947
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid (CID 65345578) is 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid is O=C(O)Cc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is SZCUTWSNIQWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c13-10-6-9(12(14)20-10)21(18,19)15-8-3-1-2-7(4-8)5-11(16)17/h1-4,6,15H,5H2,(H,16,17).
What are the key properties of 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid?
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 366.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 65345578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).