2,4-dichloro-N-(propan-2-yl)-N-{2-[(propan-2-yl)amino]ethyl}benzene-1-sulfonamide

• ChemBase ID: 154830
• Molecular Formular: C14H22Cl2N2O2S
• Molecular Mass: 353.30768
• Monoisotopic Mass: 352.07790431
• SMILES: CC(C)NCCN(C(C)C)S(=O)(=O)c1ccc(cc1Cl)Cl
• Canonical SMILES: CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C
• InChI: InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
• InChIKey: IHYZMEAZAIFMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-N-(propan-2-yl)-N-{2-[(propan-2-yl)amino]ethyl}benzene-1-sulfonamide
• IUPAC Traditional name: 2,4-dichloro-N-isopropyl-N-[2-(isopropylamino)ethyl]benzenesulfonamide
• Synonyms: 2,4-Dichloro-N-isopropyl-N-(2-isopropylaminoethyl)benzenesulfonamide; RN-1734

Database IDs

• CAS Number: 946387-07-1
• MDL Number: MFCD00129453
• PubChem SID: 162248968
• PubChem CID: 3601086

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31799704
• LogD (pH = 7.4): 1.6723511
• Log P: 3.4170806
• Molar Refractivity: 88.6781 cm^3
• Polarizability: 35.67497 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >20 mg/mL
• Apperance: white to off-white powder

Safety Information

• German water hazard class: nwg
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H22Cl2N2O2S

DETAILS

Sigma Aldrich - R0658

Biochem/physiol Actions
RN-1734 is a selective TRPV4 antagonist.