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

C11H7BrFNO4S2 — CID 61061552

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H7BrFNO4S2/c12-8-3-4-19-11(8)20(17,18)14-9-2-1-6(13)5-7(9)10(15)16/h1-5,14H,(H,15,16)
InChIKeyXCPNLEVQKRRIKF-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.15
Rot. Bonds4

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

2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid (PubChem CID 61061552) has the molecular formula C11H7BrFNO4S2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
PubChem CID61061552
Molecular FormulaC11H7BrFNO4S2
Molecular Weight380.22 g/mol
Exact Mass378.90
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H7BrFNO4S2/c12-8-3-4-19-11(8)20(17,18)14-9-2-1-6(13)5-7(9)10(15)16/h1-5,14H,(H,15,16)
InChIKeyXCPNLEVQKRRIKF-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-bromo-N-(2-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 82016117
3,5-dibromo-2-[(3-bromothiophen-2-yl)sulfonylamino]benzoic acid
CID 63408850
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 61061547
2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 61062884
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid (CID 61061552) is 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
The InChIKey is XCPNLEVQKRRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO4S2/c12-8-3-4-19-11(8)20(17,18)14-9-2-1-6(13)5-7(9)10(15)16/h1-5,14H,(H,15,16).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid?
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid has a molecular weight of 380.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid is sourced from PubChem (CID 61061552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).