3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C12H13FN2O3S — CID 63322045

IUPAC3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H13FN2O3S/c1-15(8-11-3-2-4-18-11)19(16,17)12-6-9(13)5-10(14)7-12/h2-7H,8,14H2,1H3
InChIKeyWHNUKYJYSMTZGU-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 63322045) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID63322045
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H13FN2O3S/c1-15(8-11-3-2-4-18-11)19(16,17)12-6-9(13)5-10(14)7-12/h2-7H,8,14H2,1H3
InChIKeyWHNUKYJYSMTZGU-UHFFFAOYSA-N
XLogP1.82
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 63322045) is 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is WHNUKYJYSMTZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-15(8-11-3-2-4-18-11)19(16,17)12-6-9(13)5-10(14)7-12/h2-7H,8,14H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63322045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).