2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C12H16ClF3N2O2S — CID 61107390

IUPAC2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-4-3-9(13)5-10(11)17/h3-5,8H,6-7,17H2,1-2H3
InChIKeyVEIZMQPLGAZNQY-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.13
Rot. Bonds5

About 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61107390) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61107390
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-4-3-9(13)5-10(11)17/h3-5,8H,6-7,17H2,1-2H3
InChIKeyVEIZMQPLGAZNQY-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.13
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 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61107390) is 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is VEIZMQPLGAZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O2S/c1-8(2)6-18(7-12(14,15)16)21(19,20)11-4-3-9(13)5-10(11)17/h3-5,8H,6-7,17H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 344.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61107390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).