2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C12H13FN2O2S2 — CID 61474979

IUPAC2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C12H13FN2O2S2/c13-10-1-2-11(14)12(7-10)19(16,17)15-5-3-9-4-6-18-8-9/h1-2,4,6-8,15H,3,5,14H2
InChIKeyABVPSTGZGAWENL-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide

2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 61474979) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID61474979
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C12H13FN2O2S2/c13-10-1-2-11(14)12(7-10)19(16,17)15-5-3-9-4-6-18-8-9/h1-2,4,6-8,15H,3,5,14H2
InChIKeyABVPSTGZGAWENL-UHFFFAOYSA-N
XLogP1.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.99
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

2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
4-fluoro-2-(2-thiophen-3-ylethylsulfonyl)aniline
CID 81182928
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
3-amino-4-nitro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 82847383

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 61474979) is 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is ABVPSTGZGAWENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c13-10-1-2-11(14)12(7-10)19(16,17)15-5-3-9-4-6-18-8-9/h1-2,4,6-8,15H,3,5,14H2.
What are the key properties of 2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.99, 5 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-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61474979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).