2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide

C12H11Br2NO4S — CID 107416371

IUPAC2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H11Br2NO4S/c1-7-4-8(13)2-3-10(7)15-20(17,18)11-5-9(6-16)19-12(11)14/h2-5,15-16H,6H2,1H3
InChIKeyRPTYIUFAQMJHMU-UHFFFAOYSA-N
MW425.10 g/mol
LogP3.41
Rot. Bonds4

About 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide

2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide (PubChem CID 107416371) has the molecular formula C12H11Br2NO4S and a molecular weight of 425.10 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
PubChem CID107416371
Molecular FormulaC12H11Br2NO4S
Molecular Weight425.10 g/mol
Exact Mass422.88
IUPAC Name2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H11Br2NO4S/c1-7-4-8(13)2-3-10(7)15-20(17,18)11-5-9(6-16)19-12(11)14/h2-5,15-16H,6H2,1H3
InChIKeyRPTYIUFAQMJHMU-UHFFFAOYSA-N
XLogP3.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.10
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 107425265
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
CID 79237854
N-(4-bromo-2-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22774656
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide (CID 107416371) is 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The InChIKey is RPTYIUFAQMJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO4S/c1-7-4-8(13)2-3-10(7)15-20(17,18)11-5-9(6-16)19-12(11)14/h2-5,15-16H,6H2,1H3.
What are the key properties of 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide has a molecular weight of 425.10 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide is sourced from PubChem (CID 107416371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).