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

C12H11BrClNO4S — CID 107309159

IUPAC2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H11BrClNO4S/c1-7-9(14)3-2-4-10(7)15-20(17,18)11-5-8(6-16)19-12(11)13/h2-5,15-16H,6H2,1H3
InChIKeyQJLFGBJZWMXMDV-UHFFFAOYSA-N
MW380.65 g/mol
LogP3.30
Rot. Bonds4

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

2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide (PubChem CID 107309159) has the molecular formula C12H11BrClNO4S and a molecular weight of 380.65 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
PubChem CID107309159
Molecular FormulaC12H11BrClNO4S
Molecular Weight380.65 g/mol
Exact Mass378.93
IUPAC Name2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H11BrClNO4S/c1-7-9(14)3-2-4-10(7)15-20(17,18)11-5-8(6-16)19-12(11)13/h2-5,15-16H,6H2,1H3
InChIKeyQJLFGBJZWMXMDV-UHFFFAOYSA-N
XLogP3.30
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.65
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107416371
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-2-methylfuran-3-sulfonamide
CID 106057339
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
5-(hydroxymethyl)-2-methyl-N-(2,4,5-trichlorophenyl)furan-3-sulfonamide
CID 107553261
5-(aminomethyl)-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)furan-3-sulfonamide
CID 106078945
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
5-(aminomethyl)-2-bromo-N-(2,5-dichlorophenyl)furan-3-sulfonamide
CID 106037280
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide (CID 107309159) is 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The InChIKey is QJLFGBJZWMXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO4S/c1-7-9(14)3-2-4-10(7)15-20(17,18)11-5-8(6-16)19-12(11)13/h2-5,15-16H,6H2,1H3.
What are the key properties of 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide?
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide has a molecular weight of 380.65 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide is sourced from PubChem (CID 107309159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).