2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride

C10H7BrFNO4S3 — CID 116814262

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H7BrFNO4S3/c11-7-5-6-18-10(7)20(16,17)13-8-3-1-2-4-9(8)19(12,14)15/h1-6,13H
InChIKeyYLCQDEJFMRRTHV-UHFFFAOYSA-N
MW400.27 g/mol
LogP2.97
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride

2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride (PubChem CID 116814262) has the molecular formula C10H7BrFNO4S3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
PubChem CID116814262
Molecular FormulaC10H7BrFNO4S3
Molecular Weight400.27 g/mol
Exact Mass398.87
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H7BrFNO4S3/c11-7-5-6-18-10(7)20(16,17)13-8-3-1-2-4-9(8)19(12,14)15/h1-6,13H
InChIKeyYLCQDEJFMRRTHV-UHFFFAOYSA-N
XLogP2.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-bromothiophene-2-sulfonamide
CID 64894470
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
2-[2-[(3-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 62536493
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
3-chloro-N-(2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 174608242
2-[(3-bromothiophen-2-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 61062884
3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61458187
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
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 166428996
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride (CID 116814262) is 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride?
The InChIKey is YLCQDEJFMRRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO4S3/c11-7-5-6-18-10(7)20(16,17)13-8-3-1-2-4-9(8)19(12,14)15/h1-6,13H.
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride?
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride has a molecular weight of 400.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).