3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H23FN2O2S — CID 107325853

IUPAC3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C15H23FN2O2S/c1-4-12(8-11-5-6-11)18-21(19,20)15-9(2)7-13(16)14(17)10(15)3/h7,11-12,18H,4-6,8,17H2,1-3H3
InChIKeyGAAWIYNEXZRMNU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107325853) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107325853
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1c(C)cc(F)c(N)c1C
InChIInChI=1S/C15H23FN2O2S/c1-4-12(8-11-5-6-11)18-21(19,20)15-9(2)7-13(16)14(17)10(15)3/h7,11-12,18H,4-6,8,17H2,1-3H3
InChIKeyGAAWIYNEXZRMNU-UHFFFAOYSA-N
XLogP2.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(1-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325866
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
3-amino-4-fluoro-N-(4-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325879
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107325853) is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1c(C)cc(F)c(N)c1C.
What is the InChIKey of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is GAAWIYNEXZRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-4-12(8-11-5-6-11)18-21(19,20)15-9(2)7-13(16)14(17)10(15)3/h7,11-12,18H,4-6,8,17H2,1-3H3.
What are the key properties of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107325853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).