N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide

C12H12ClFN2O3S — CID 106087933

IUPACN-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C12H12ClFN2O3S/c1-15-7-11-2-3-12(19-11)20(17,18)16-10-5-8(13)4-9(14)6-10/h2-6,15-16H,7H2,1H3
InChIKeyRWEGBPCRGKUZNS-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.59
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide

N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide (PubChem CID 106087933) has the molecular formula C12H12ClFN2O3S and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
PubChem CID106087933
Molecular FormulaC12H12ClFN2O3S
Molecular Weight318.76 g/mol
Exact Mass318.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)o1
InChIInChI=1S/C12H12ClFN2O3S/c1-15-7-11-2-3-12(19-11)20(17,18)16-10-5-8(13)4-9(14)6-10/h2-6,15-16H,7H2,1H3
InChIKeyRWEGBPCRGKUZNS-UHFFFAOYSA-N
XLogP2.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-(4-chloro-3-methoxyphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087765
5-(methylaminomethyl)-N-thiophen-3-ylfuran-2-sulfonamide
CID 106070081
N-(2-fluoro-4-methylphenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106031076
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
5-[(3-fluoro-5-methylanilino)methyl]-N-methylfuran-2-sulfonamide
CID 79055174
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
N-(3-bromo-4-fluorophenyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106078334

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide (CID 106087933) is N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
The InChIKey is RWEGBPCRGKUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S/c1-15-7-11-2-3-12(19-11)20(17,18)16-10-5-8(13)4-9(14)6-10/h2-6,15-16H,7H2,1H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide?
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide has a molecular weight of 318.76 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106087933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).