5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide

C11H15FN2O3S — CID 79904324

IUPAC5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C11H15FN2O3S/c1-6-10(12)2-7(13)3-11(6)18(16,17)14-8-4-9(15)5-8/h2-3,8-9,14-15H,4-5,13H2,1H3
InChIKeyHBLBFUUVXGADFL-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds3

About 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide

5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide (PubChem CID 79904324) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide
PubChem CID79904324
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CC(O)C1
InChIInChI=1S/C11H15FN2O3S/c1-6-10(12)2-7(13)3-11(6)18(16,17)14-8-4-9(15)5-8/h2-3,8-9,14-15H,4-5,13H2,1H3
InChIKeyHBLBFUUVXGADFL-UHFFFAOYSA-N
XLogP0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-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

Benzenesulfonamide, 5-amino-N-(2-hydroxyethyl)-2-methyl-
CID 83263
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 102859145
5-amino-2-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43498603
3-amino-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43498616
3-amino-5-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 55204349
5-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140649
3-amino-4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61239729
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242223
3-amino-5-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 63322489
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-5-fluorobenzenesulfonamide
CID 63322681
5-amino-2-fluoro-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 64192234
5-amino-2-fluoro-N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
CID 64192236

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide (CID 79904324) is 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NC1CC(O)C1.
What is the InChIKey of 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide?
The InChIKey is HBLBFUUVXGADFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-6-10(12)2-7(13)3-11(6)18(16,17)14-8-4-9(15)5-8/h2-3,8-9,14-15H,4-5,13H2,1H3.
What are the key properties of 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide?
5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N-(3-hydroxycyclobutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79904324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).