5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C13H15FN2O2S2 — CID 79897333

IUPAC5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H15FN2O2S2/c1-8-11(14)6-10(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3
InChIKeyPCLBFDYYVCAQRF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.82
Rot. Bonds4

About 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 79897333) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID79897333
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H15FN2O2S2/c1-8-11(14)6-10(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3
InChIKeyPCLBFDYYVCAQRF-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.82
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

4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 79897333) is 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NC(C)c1cccs1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is PCLBFDYYVCAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-8-11(14)6-10(15)7-13(8)20(17,18)16-9(2)12-4-3-5-19-12/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79897333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).