2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide

C10H15FN2O3S — CID 114230052

IUPAC2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCO)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H15FN2O3S/c1-13(6-3-7-14)17(15,16)9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,12H2,1H3
InChIKeyYDUOEYSXTQCNON-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds5

About 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide

2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 114230052) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID114230052
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCO)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H15FN2O3S/c1-13(6-3-7-14)17(15,16)9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,12H2,1H3
InChIKeyYDUOEYSXTQCNON-UHFFFAOYSA-N
XLogP0.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide 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-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62058300
2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656609
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
3-fluoro-N-(5-hydroxypentyl)-N-methyl-2-nitrobenzenesulfonamide
CID 107199107
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
CID 63695562
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107197602
3-[3-hydroxypropyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114230219
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide (CID 114230052) is 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide is CN(CCCO)S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is YDUOEYSXTQCNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-13(6-3-7-14)17(15,16)9-5-2-4-8(11)10(9)12/h2,4-5,14H,3,6-7,12H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 114230052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).