3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C14H17FN2O2S2 — CID 107325755

IUPAC3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-9-7-12(15)13(16)10(2)14(9)21(18,19)17-5-3-11-4-6-20-8-11/h4,6-8,17H,3,5,16H2,1-2H3
InChIKeyOKARYTGGFONBFM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide

3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 107325755) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID107325755
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C14H17FN2O2S2/c1-9-7-12(15)13(16)10(2)14(9)21(18,19)17-5-3-11-4-6-20-8-11/h4,6-8,17H,3,5,16H2,1-2H3
InChIKeyOKARYTGGFONBFM-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.61
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-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821
5-amino-4-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114625464
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
3-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107325891
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
ethyl 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetate
CID 107325674
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 107325755) is 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is OKARYTGGFONBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-9-7-12(15)13(16)10(2)14(9)21(18,19)17-5-3-11-4-6-20-8-11/h4,6-8,17H,3,5,16H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 107325755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).