2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide

C14H15FN2O2S2 — CID 61113825

IUPAC2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCSc1ccccc1
InChIInChI=1S/C14H15FN2O2S2/c15-11-6-7-13(16)14(10-11)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,16H2
InChIKeyXGMGVOFTIDPFDM-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.48
Rot. Bonds6

About 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide

2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide (PubChem CID 61113825) has the molecular formula C14H15FN2O2S2 and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
PubChem CID61113825
Molecular FormulaC14H15FN2O2S2
Molecular Weight326.42 g/mol
Exact Mass326.06
IUPAC Name2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCSc1ccccc1
InChIInChI=1S/C14H15FN2O2S2/c15-11-6-7-13(16)14(10-11)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,16H2
InChIKeyXGMGVOFTIDPFDM-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
5-fluoro-2-(2-phenylsulfanylethylsulfonyl)aniline
CID 81184875
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
4-fluoro-2-iodo-N-(2-phenylsulfanylethyl)aniline
CID 79769087
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
CID 79222282
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide
CID 61113853

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide (CID 61113825) is 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)NCCSc1ccccc1.
What is the InChIKey of 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The InChIKey is XGMGVOFTIDPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S2/c15-11-6-7-13(16)14(10-11)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9,16H2.
What are the key properties of 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 61113825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).