N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride

C11H16ClF3N2O3S — CID 119965033

IUPACN-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O3S.ClH/c1-15-6-3-7-16-20(17,18)10-5-2-4-9(8-10)19-11(12,13)14;/h2,4-5,8,15-16H,3,6-7H2,1H3;1H
InChIKeyBQXUYRYCVLWZAO-UHFFFAOYSA-N
MW348.77 g/mol
LogP1.89
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride

N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119965033) has the molecular formula C11H16ClF3N2O3S and a molecular weight of 348.77 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID119965033
Molecular FormulaC11H16ClF3N2O3S
Molecular Weight348.77 g/mol
Exact Mass348.05
IUPAC NameN-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl
InChIInChI=1S/C11H15F3N2O3S.ClH/c1-15-6-3-7-16-20(17,18)10-5-2-4-9(8-10)19-11(12,13)14;/h2,4-5,8,15-16H,3,6-7H2,1H3;1H
InChIKeyBQXUYRYCVLWZAO-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride (CID 119965033) is N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BQXUYRYCVLWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S.ClH/c1-15-6-3-7-16-20(17,18)10-5-2-4-9(8-10)19-11(12,13)14;/h2,4-5,8,15-16H,3,6-7H2,1H3;1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 348.77 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).