N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide

C12H13FN2O3S — CID 63204406

IUPACN-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-19(16,17)15-12-6-10(2-3-11(12)13)14-7-9-4-5-18-8-9/h2-6,8,14-15H,7H2,1H3
InChIKeyXFVQHZJLTCYFTF-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.40
Rot. Bonds5

About N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 63204406) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
PubChem CID63204406
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2ccoc2)ccc1F
InChIInChI=1S/C12H13FN2O3S/c1-19(16,17)15-12-6-10(2-3-11(12)13)14-7-9-4-5-18-8-9/h2-6,8,14-15H,7H2,1H3
InChIKeyXFVQHZJLTCYFTF-UHFFFAOYSA-N
XLogP2.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63204789
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204687
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
CID 63204868
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-fluoro-N-(furan-3-ylmethyl)-3-nitroaniline
CID 55163988
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228
N-[5-[(3-bromothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 115380061
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide (CID 63204406) is N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NCc2ccoc2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is XFVQHZJLTCYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-19(16,17)15-12-6-10(2-3-11(12)13)14-7-9-4-5-18-8-9/h2-6,8,14-15H,7H2,1H3.
What are the key properties of N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 63204406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).