3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H10ClFN2O3S — CID 103050157

IUPAC3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2ccco2)c1F
InChIInChI=1S/C11H10ClFN2O3S/c12-7-4-9(14)11(13)10(5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2
InChIKeyXCZCLCUOZAXNSQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.13
Rot. Bonds4

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

3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 103050157) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID103050157
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCc2ccco2)c1F
InChIInChI=1S/C11H10ClFN2O3S/c12-7-4-9(14)11(13)10(5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2
InChIKeyXCZCLCUOZAXNSQ-UHFFFAOYSA-N
XLogP2.13
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
3-amino-5-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103051432
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 103050157) is 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCc2ccco2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is XCZCLCUOZAXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c12-7-4-9(14)11(13)10(5-7)19(16,17)15-6-8-2-1-3-18-8/h1-5,15H,6,14H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 304.73 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103050157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).