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

C11H7Cl2NO4S2 — CID 43090882

IUPAC2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2NO4S2/c12-9-5-8(10(13)19-9)20(17,18)14-7-4-2-1-3-6(7)11(15)16/h1-5,14H,(H,15,16)
InChIKeyNXBUSTPNMHNOFO-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.55
Rot. Bonds4

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

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (PubChem CID 43090882) has the molecular formula C11H7Cl2NO4S2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
PubChem CID43090882
Molecular FormulaC11H7Cl2NO4S2
Molecular Weight352.22 g/mol
Exact Mass350.92
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2NO4S2/c12-9-5-8(10(13)19-9)20(17,18)14-7-4-2-1-3-6(7)11(15)16/h1-5,14H,(H,15,16)
InChIKeyNXBUSTPNMHNOFO-UHFFFAOYSA-N
XLogP3.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264953
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzamide
CID 34973303
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid (CID 43090882) is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
The InChIKey is NXBUSTPNMHNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4S2/c12-9-5-8(10(13)19-9)20(17,18)14-7-4-2-1-3-6(7)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid?
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid has a molecular weight of 352.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).