2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

C12H18FN3O2S2 — CID 106324656

IUPAC2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C12H18FN3O2S2/c13-10-2-1-3-11(14)12(10)20(17,18)15-4-5-16-6-8-19-9-7-16/h1-3,15H,4-9,14H2
InChIKeyGOOOGVMJLAIIEI-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.74
Rot. Bonds5

About 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide

2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (PubChem CID 106324656) has the molecular formula C12H18FN3O2S2 and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
PubChem CID106324656
Molecular FormulaC12H18FN3O2S2
Molecular Weight319.43 g/mol
Exact Mass319.08
IUPAC Name2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCCN1CCSCC1
InChIInChI=1S/C12H18FN3O2S2/c13-10-2-1-3-11(14)12(10)20(17,18)15-4-5-16-6-8-19-9-7-16/h1-3,15H,4-9,14H2
InChIKeyGOOOGVMJLAIIEI-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4,6-difluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106326852
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
CID 113487178
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
3-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327376
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
5-(aminomethyl)-2-bromo-N-(2-thiomorpholin-4-ylethyl)furan-3-sulfonamide
CID 106327441

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide (CID 106324656) is 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)NCCN1CCSCC1.
What is the InChIKey of 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is GOOOGVMJLAIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S2/c13-10-2-1-3-11(14)12(10)20(17,18)15-4-5-16-6-8-19-9-7-16/h1-3,15H,4-9,14H2.
What are the key properties of 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide?
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106324656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).