2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C12H10BrF2NO3S — CID 62524776

IUPAC2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C12H10BrF2NO3S/c1-7-2-3-9(19-7)6-16-20(17,18)12-10(13)4-8(14)5-11(12)15/h2-5,16H,6H2,1H3
InChIKeyDHPLDEBFVQYREO-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.11
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 62524776) has the molecular formula C12H10BrF2NO3S and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID62524776
Molecular FormulaC12H10BrF2NO3S
Molecular Weight366.18 g/mol
Exact Mass364.95
IUPAC Name2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C12H10BrF2NO3S/c1-7-2-3-9(19-7)6-16-20(17,18)12-10(13)4-8(14)5-11(12)15/h2-5,16H,6H2,1H3
InChIKeyDHPLDEBFVQYREO-UHFFFAOYSA-N
XLogP3.11
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523
2-bromo-4,6-difluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61066611
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61066905
2-bromo-4,6-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106406985
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081929
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 62524776) is 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)o1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is DHPLDEBFVQYREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO3S/c1-7-2-3-9(19-7)6-16-20(17,18)12-10(13)4-8(14)5-11(12)15/h2-5,16H,6H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 366.18 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62524776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).