4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C13H17F3N2O2S — CID 79569964

IUPAC4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H17F3N2O2S/c1-8-5-10(17)6-9(2)12(8)21(19,20)18(11-3-4-11)7-13(14,15)16/h5-6,11H,3-4,7,17H2,1-2H3
InChIKeyJVZOUGJWZUWOGV-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.60
Rot. Bonds4

About 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 79569964) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID79569964
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H17F3N2O2S/c1-8-5-10(17)6-9(2)12(8)21(19,20)18(11-3-4-11)7-13(14,15)16/h5-6,11H,3-4,7,17H2,1-2H3
InChIKeyJVZOUGJWZUWOGV-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 79569964) is 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is JVZOUGJWZUWOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-8-5-10(17)6-9(2)12(8)21(19,20)18(11-3-4-11)7-13(14,15)16/h5-6,11H,3-4,7,17H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 79569964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).