4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H8BrCl2NO3S — CID 26944366

IUPAC4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2NO3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6H2
InChIKeyJHEXCQRVLWPIFL-UHFFFAOYSA-N
MW385.07 g/mol
LogP3.83
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 26944366) has the molecular formula C11H8BrCl2NO3S and a molecular weight of 385.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID26944366
Molecular FormulaC11H8BrCl2NO3S
Molecular Weight385.07 g/mol
Exact Mass382.88
IUPAC Name4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2NO3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6H2
InChIKeyJHEXCQRVLWPIFL-UHFFFAOYSA-N
XLogP3.83
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 1034230
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 113431404
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 26944366) is 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JHEXCQRVLWPIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO3S/c12-7-4-9(13)11(10(14)5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 385.07 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 26944366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).