5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide

C12H12BrFN2O2S2 — CID 113092573

IUPAC5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H12BrFN2O2S2/c1-16(2)10-4-3-8(14)7-9(10)15-20(17,18)12-6-5-11(13)19-12/h3-7,15H,1-2H3
InChIKeyQZNHKFOGABNQMI-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.52
Rot. Bonds4

About 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide

5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide (PubChem CID 113092573) has the molecular formula C12H12BrFN2O2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
PubChem CID113092573
Molecular FormulaC12H12BrFN2O2S2
Molecular Weight379.28 g/mol
Exact Mass377.95
IUPAC Name5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
SMILESCN(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H12BrFN2O2S2/c1-16(2)10-4-3-8(14)7-9(10)15-20(17,18)12-6-5-11(13)19-12/h3-7,15H,1-2H3
InChIKeyQZNHKFOGABNQMI-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
CID 113092899
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-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
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-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
N-(2-amino-4,6-difluorophenyl)-5-bromothiophene-2-sulfonamide
CID 81315432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide (CID 113092573) is 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide is CN(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide?
The InChIKey is QZNHKFOGABNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2S2/c1-16(2)10-4-3-8(14)7-9(10)15-20(17,18)12-6-5-11(13)19-12/h3-7,15H,1-2H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113092573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).