2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid

C14H15NO4S2 — CID 43238239

IUPAC2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c(C)s1
InChIInChI=1S/C14H15NO4S2/c1-9-7-13(10(2)20-9)21(18,19)15-12-5-3-11(4-6-12)8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyUZCCPLUJEICMJD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid

2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 43238239) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
PubChem CID43238239
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c(C)s1
InChIInChI=1S/C14H15NO4S2/c1-9-7-13(10(2)20-9)21(18,19)15-12-5-3-11(4-6-12)8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyUZCCPLUJEICMJD-UHFFFAOYSA-N
XLogP2.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
N-[4-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]phenyl]acetamide
CID 32684135
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
4-[(4-iodophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327978
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
CID 106523222
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
3-[4-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]propanoic acid
CID 115339524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid (CID 43238239) is 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid is Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c(C)s1.
What is the InChIKey of 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is UZCCPLUJEICMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-7-13(10(2)20-9)21(18,19)15-12-5-3-11(4-6-12)8-14(16)17/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid?
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 43238239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).