N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide

C12H11BrF2N2O3S — CID 106087052

IUPACN-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)o1
InChIInChI=1S/C12H11BrF2N2O3S/c1-16-6-7-2-3-12(20-7)21(18,19)17-11-4-8(13)9(14)5-10(11)15/h2-5,16-17H,6H2,1H3
InChIKeyIUUJHNPCOISDOX-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.84
Rot. Bonds5

About N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106087052) has the molecular formula C12H11BrF2N2O3S and a molecular weight of 381.20 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106087052
Molecular FormulaC12H11BrF2N2O3S
Molecular Weight381.20 g/mol
Exact Mass379.96
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)o1
InChIInChI=1S/C12H11BrF2N2O3S/c1-16-6-7-2-3-12(20-7)21(18,19)17-11-4-8(13)9(14)5-10(11)15/h2-5,16-17H,6H2,1H3
InChIKeyIUUJHNPCOISDOX-UHFFFAOYSA-N
XLogP2.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
N-(2-bromo-3-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106073903
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
N-[2-(methoxymethyl)phenyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003230
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-sulfonamide
CID 106081269
N-(3-bromo-4-chlorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106070960
N-(3-bromo-2-methylphenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106088206
N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087765

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106087052) is N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)o1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is IUUJHNPCOISDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O3S/c1-16-6-7-2-3-12(20-7)21(18,19)17-11-4-8(13)9(14)5-10(11)15/h2-5,16-17H,6H2,1H3.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 381.20 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106087052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).