5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide

C10H8BrFN2O4S3 — CID 60550023

IUPAC5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C10H8BrFN2O4S3/c11-9-3-4-10(19-9)21(17,18)14-8-2-1-6(5-7(8)12)20(13,15)16/h1-5,14H,(H2,13,15,16)
InChIKeyCJLSWGZVZWYCNN-UHFFFAOYSA-N
MW415.29 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide

5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 60550023) has the molecular formula C10H8BrFN2O4S3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID60550023
Molecular FormulaC10H8BrFN2O4S3
Molecular Weight415.29 g/mol
Exact Mass413.88
IUPAC Name5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)c(F)c1
InChIInChI=1S/C10H8BrFN2O4S3/c11-9-3-4-10(19-9)21(17,18)14-8-2-1-6(5-7(8)12)20(13,15)16/h1-5,14H,(H2,13,15,16)
InChIKeyCJLSWGZVZWYCNN-UHFFFAOYSA-N
XLogP2.10
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
CID 60579083
5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 81421805
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
N-(2-amino-4,6-difluorophenyl)-5-bromothiophene-2-sulfonamide
CID 81315432
5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
CID 61392311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide (CID 60550023) is 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)c(F)c1.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is CJLSWGZVZWYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O4S3/c11-9-3-4-10(19-9)21(17,18)14-8-2-1-6(5-7(8)12)20(13,15)16/h1-5,14H,(H2,13,15,16).
What are the key properties of 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 415.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60550023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).