5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide

C11H14F2N2O2S2 — CID 107294857

IUPAC5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCSC2)c(F)cc1F
InChIInChI=1S/C11H14F2N2O2S2/c12-8-3-9(13)11(4-10(8)14)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyOZXYYDUPENFGFP-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide

5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide (PubChem CID 107294857) has the molecular formula C11H14F2N2O2S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
PubChem CID107294857
Molecular FormulaC11H14F2N2O2S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCSC2)c(F)cc1F
InChIInChI=1S/C11H14F2N2O2S2/c12-8-3-9(13)11(4-10(8)14)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyOZXYYDUPENFGFP-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.58
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

5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294823
3-amino-5-fluoro-4-methoxy-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294772
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294844
4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
CID 107297048
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
2-hydroxy-4-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295072
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
2-fluoro-3-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295136

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide (CID 107294857) is 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCC2CCSC2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is OZXYYDUPENFGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S2/c12-8-3-9(13)11(4-10(8)14)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2.
What are the key properties of 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107294857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).