4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide

C11H15FN2O3S — CID 63294173

IUPAC4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(O)C2CC2)c(F)c1
InChIInChI=1S/C11H15FN2O3S/c12-9-5-8(13)3-4-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2
InChIKeyRKZGOAAJRLJQLY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds5

About 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide (PubChem CID 63294173) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
PubChem CID63294173
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(O)C2CC2)c(F)c1
InChIInChI=1S/C11H15FN2O3S/c12-9-5-8(13)3-4-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2
InChIKeyRKZGOAAJRLJQLY-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
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

5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide (CID 63294173) is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)NCC(O)C2CC2)c(F)c1.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide?
The InChIKey is RKZGOAAJRLJQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-9-5-8(13)3-4-11(9)18(16,17)14-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6,13H2.
What are the key properties of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide?
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63294173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).