5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide

C11H17FN2O2S — CID 79896365

IUPAC5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C11H17FN2O2S/c1-4-5-14(3)17(15,16)11-7-9(13)6-10(12)8(11)2/h6-7H,4-5,13H2,1-3H3
InChIKeyCZXGTPFCNXNAFR-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide

5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide (PubChem CID 79896365) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
PubChem CID79896365
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C11H17FN2O2S/c1-4-5-14(3)17(15,16)11-7-9(13)6-10(12)8(11)2/h6-7H,4-5,13H2,1-3H3
InChIKeyCZXGTPFCNXNAFR-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide 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

5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016
methyl 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-propylamino]acetate
CID 79899489
5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
CID 79896813
5-amino-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79899809
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
5-amino-3-fluoro-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 79901563
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide (CID 79896365) is 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide?
The InChIKey is CZXGTPFCNXNAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-4-5-14(3)17(15,16)11-7-9(13)6-10(12)8(11)2/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide?
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 79896365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).