5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid

C11H7BrClNO4S2 — CID 61458150

IUPAC5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2sccc2Br)ccc1Cl
InChIInChI=1S/C11H7BrClNO4S2/c12-8-3-4-19-11(8)20(17,18)14-6-1-2-9(13)7(5-6)10(15)16/h1-5,14H,(H,15,16)
InChIKeyRGAUOZRDUQXVKB-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.66
Rot. Bonds4

About 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid

5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid (PubChem CID 61458150) has the molecular formula C11H7BrClNO4S2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
PubChem CID61458150
Molecular FormulaC11H7BrClNO4S2
Molecular Weight396.67 g/mol
Exact Mass394.87
IUPAC Name5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2sccc2Br)ccc1Cl
InChIInChI=1S/C11H7BrClNO4S2/c12-8-3-4-19-11(8)20(17,18)14-6-1-2-9(13)7(5-6)10(15)16/h1-5,14H,(H,15,16)
InChIKeyRGAUOZRDUQXVKB-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

3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
CID 63408850
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61063464
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid?
The IUPAC name of 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid (CID 61458150) is 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid is O=C(O)c1cc(NS(=O)(=O)c2sccc2Br)ccc1Cl.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid?
The InChIKey is RGAUOZRDUQXVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO4S2/c12-8-3-4-19-11(8)20(17,18)14-6-1-2-9(13)7(5-6)10(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid?
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic 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 5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid is sourced from PubChem (CID 61458150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).