3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline

C11H9F2NO2S2 — CID 61367469

IUPAC3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline
SMILESNc1cc(F)c(S(=O)(=O)Cc2ccsc2)c(F)c1
InChIInChI=1S/C11H9F2NO2S2/c12-9-3-8(14)4-10(13)11(9)18(15,16)6-7-1-2-17-5-7/h1-5H,6,14H2
InChIKeyKPKVAKSGDRQKNF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.58
Rot. Bonds3

About 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline

3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline (PubChem CID 61367469) has the molecular formula C11H9F2NO2S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline
PubChem CID61367469
Molecular FormulaC11H9F2NO2S2
Molecular Weight289.33 g/mol
Exact Mass289.00
IUPAC Name3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline
SMILESNc1cc(F)c(S(=O)(=O)Cc2ccsc2)c(F)c1
InChIInChI=1S/C11H9F2NO2S2/c12-9-3-8(14)4-10(13)11(9)18(15,16)6-7-1-2-17-5-7/h1-5H,6,14H2
InChIKeyKPKVAKSGDRQKNF-UHFFFAOYSA-N
XLogP2.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61368603
4-[(4-chloro-3-fluorophenyl)methylsulfonyl]-3,5-difluoroaniline
CID 107885871
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
4-chloro-3-(thiophen-3-ylmethylsulfonyl)aniline
CID 81202226
3-(benzenesulfonylmethyl)thiophene
CID 14632150
3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
2-(thiophen-3-ylmethylsulfonyl)pyridin-3-amine
CID 61369370
2-bromo-5-(thiophen-3-ylmethylsulfonyl)benzoic acid
CID 43646395
3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
3,5-difluoro-4-(2-pyridin-4-ylethylsulfonyl)aniline
CID 61367659
3,5-difluoro-4-thiophen-3-ylaniline
CID 164656773
3-amino-4-fluoro-2,6-dimethyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 107325755

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline?
The IUPAC name of 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline (CID 61367469) is 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline.
What is the SMILES notation for 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline?
The canonical SMILES for 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline is Nc1cc(F)c(S(=O)(=O)Cc2ccsc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline?
The InChIKey is KPKVAKSGDRQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2S2/c12-9-3-8(14)4-10(13)11(9)18(15,16)6-7-1-2-17-5-7/h1-5H,6,14H2.
What are the key properties of 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline?
3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline has a molecular weight of 289.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline is sourced from PubChem (CID 61367469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).