4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid

C11H7BrClNO4S2 — CID 60916262

IUPAC4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7BrClNO4S2/c12-6-1-2-7(11(15)16)8(5-6)14-20(17,18)10-4-3-9(13)19-10/h1-5,14H,(H,15,16)
InChIKeyTWGNESIMFQLMNN-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid

4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid (PubChem CID 60916262) has the molecular formula C11H7BrClNO4S2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
PubChem CID60916262
Molecular FormulaC11H7BrClNO4S2
Molecular Weight396.67 g/mol
Exact Mass394.87
IUPAC Name4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7BrClNO4S2/c12-6-1-2-7(11(15)16)8(5-6)14-20(17,18)10-4-3-9(13)19-10/h1-5,14H,(H,15,16)
InChIKeyTWGNESIMFQLMNN-UHFFFAOYSA-N
XLogP3.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.66
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
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77050384
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid (CID 60916262) is 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid is O=C(O)c1ccc(Br)cc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid?
The InChIKey is TWGNESIMFQLMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO4S2/c12-6-1-2-7(11(15)16)8(5-6)14-20(17,18)10-4-3-9(13)19-10/h1-5,14H,(H,15,16).
What are the key properties of 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid?
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid has a molecular weight of 396.67 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 60916262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).