N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide

C14H12FNO4S — CID 61216385

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cccc2c1OCO2)c1ccccc1F
InChIInChI=1S/C14H12FNO4S/c15-11-5-1-2-7-13(11)21(17,18)16-8-10-4-3-6-12-14(10)20-9-19-12/h1-7,16H,8-9H2
InChIKeyVOWRBFSEQNJQOT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.03
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide

N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide (PubChem CID 61216385) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
PubChem CID61216385
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cccc2c1OCO2)c1ccccc1F
InChIInChI=1S/C14H12FNO4S/c15-11-5-1-2-7-13(11)21(17,18)16-8-10-4-3-6-12-14(10)20-9-19-12/h1-7,16H,8-9H2
InChIKeyVOWRBFSEQNJQOT-UHFFFAOYSA-N
XLogP2.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-bromobenzenesulfonamide
CID 61210217
N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
CID 47372906
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
CID 154879529
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylaniline
CID 43683316
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2-fluoroaniline
CID 43583401
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 52883702
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
1,3-benzodioxole-4-sulfonyl chloride
CID 22500110
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-4-nitroaniline
CID 61211536
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide (CID 61216385) is N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCc1cccc2c1OCO2)c1ccccc1F.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide?
The InChIKey is VOWRBFSEQNJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-11-5-1-2-7-13(11)21(17,18)16-8-10-4-3-6-12-14(10)20-9-19-12/h1-7,16H,8-9H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide?
N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 61216385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).