4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C14H17FN2O2S2 — CID 79471427

IUPAC4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H17FN2O2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyOSOAFQOAXRQSIK-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 79471427) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID79471427
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C14H17FN2O2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyOSOAFQOAXRQSIK-UHFFFAOYSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide 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

2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
3-fluoro-4-(2-thiophen-2-ylethylsulfonyl)aniline
CID 81193158
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79487562
3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 79471427) is 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is OSOAFQOAXRQSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79471427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).