4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide

C11H7Br2F2NO2S2 — CID 2740403

IUPAC4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2F2NO2S2/c12-8-4-10(19-11(8)13)20(17,18)16-5-6-1-2-7(14)3-9(6)15/h1-4,16H,5H2
InChIKeyGNRGOCJWUUUBKW-UHFFFAOYSA-N
MW447.12 g/mol
LogP4.03
Rot. Bonds4

About 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide

4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 2740403) has the molecular formula C11H7Br2F2NO2S2 and a molecular weight of 447.12 g/mol. Its IUPAC name is 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID2740403
Molecular FormulaC11H7Br2F2NO2S2
Molecular Weight447.12 g/mol
Exact Mass444.83
IUPAC Name4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2F2NO2S2/c12-8-4-10(19-11(8)13)20(17,18)16-5-6-1-2-7(14)3-9(6)15/h1-4,16H,5H2
InChIKeyGNRGOCJWUUUBKW-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide (CID 2740403) is 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)cc1F)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is GNRGOCJWUUUBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO2S2/c12-8-4-10(19-11(8)13)20(17,18)16-5-6-1-2-7(14)3-9(6)15/h1-4,16H,5H2.
What are the key properties of 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide?
4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 447.12 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2740403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).