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

C11H15FN2O3S — CID 80645713

IUPAC5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6-2-7(13)3-10(11(6)12)18(16,17)14-8-4-9(15)5-8/h2-3,8-9,14-15H,4-5,13H2,1H3
InChIKeyRCJAYGJSFUWZQS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds3

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

5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide (PubChem CID 80645713) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
PubChem CID80645713
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CC(O)C2)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6-2-7(13)3-10(11(6)12)18(16,17)14-8-4-9(15)5-8/h2-3,8-9,14-15H,4-5,13H2,1H3
InChIKeyRCJAYGJSFUWZQS-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'}

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Related Compounds

3-amino-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 24270777
3-amino-N-ethyl-4-fluoro-5-methylbenzenesulfonamide
CID 24270806
3-amino-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 24270835
3-amino-4-fluoro-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 24270861
3-amino-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 24270887
3-amino-4-fluoro-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
CID 24270916
3-amino-N-cyclopentyl-4-fluoro-5-methylbenzenesulfonamide
CID 24270943
3-amino-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43256482
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
3-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140834

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide (CID 80645713) is 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2CC(O)C2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
The InChIKey is RCJAYGJSFUWZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-6-2-7(13)3-10(11(6)12)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-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide?
5-amino-2-fluoro-N-(3-hydroxycyclobutyl)-3-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-2-fluoro-N-(3-hydroxycyclobutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 80645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).