3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid

C12H10ClNO5S2 — CID 43443083

IUPAC3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10ClNO5S2/c1-19-9-6-7(13)2-3-10(9)21(17,18)14-8-4-5-20-11(8)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyYYBKMPXUROJZNI-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.91
Rot. Bonds5

About 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid

3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43443083) has the molecular formula C12H10ClNO5S2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43443083
Molecular FormulaC12H10ClNO5S2
Molecular Weight347.80 g/mol
Exact Mass346.97
IUPAC Name3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H10ClNO5S2/c1-19-9-6-7(13)2-3-10(9)21(17,18)14-8-4-5-20-11(8)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyYYBKMPXUROJZNI-UHFFFAOYSA-N
XLogP2.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid (CID 43443083) is 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid is COc1cc(Cl)ccc1S(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is YYBKMPXUROJZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5S2/c1-19-9-6-7(13)2-3-10(9)21(17,18)14-8-4-5-20-11(8)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43443083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).