4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

C14H21FN2O2S2 — CID 106071747

IUPAC4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCCS2)cc(C)c1F
InChIInChI=1S/C14H21FN2O2S2/c1-10-6-13(7-11(8-16-2)14(10)15)21(18,19)17-9-12-4-3-5-20-12/h6-7,12,16-17H,3-5,8-9H2,1-2H3
InChIKeyFDYARCYLMLOZAP-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.03
Rot. Bonds6

About 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide

4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071747) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071747
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCCS2)cc(C)c1F
InChIInChI=1S/C14H21FN2O2S2/c1-10-6-13(7-11(8-16-2)14(10)15)21(18,19)17-9-12-4-3-5-20-12/h6-7,12,16-17H,3-5,8-9H2,1-2H3
InChIKeyFDYARCYLMLOZAP-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071747) is 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NCC2CCCS2)cc(C)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is FDYARCYLMLOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-10-6-13(7-11(8-16-2)14(10)15)21(18,19)17-9-12-4-3-5-20-12/h6-7,12,16-17H,3-5,8-9H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide?
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).