3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C13H19FN2O3S — CID 107325826

IUPAC3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C13H19FN2O3S/c1-7-5-10(14)12(15)8(2)13(7)20(18,19)16-6-11(17)9-3-4-9/h5,9,11,16-17H,3-4,6,15H2,1-2H3
InChIKeyIYFZPEQFAPJUDA-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.07
Rot. Bonds5

About 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107325826) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107325826
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C13H19FN2O3S/c1-7-5-10(14)12(15)8(2)13(7)20(18,19)16-6-11(17)9-3-4-9/h5,9,11,16-17H,3-4,6,15H2,1-2H3
InChIKeyIYFZPEQFAPJUDA-UHFFFAOYSA-N
XLogP1.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.07
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-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 107325645
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325853
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
2,5-dibromo-N-(2-cyclopropyl-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 81327832
ethyl 2-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetate
CID 107325674

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107325826) is 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is IYFZPEQFAPJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-7-5-10(14)12(15)8(2)13(7)20(18,19)16-6-11(17)9-3-4-9/h5,9,11,16-17H,3-4,6,15H2,1-2H3.
What are the key properties of 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107325826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).