N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride

C17H21ClF2N2O3S — CID 120664041

IUPACN-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-9-4-5-10-16(15)25(22,23)21(12-6-11-20)13-14-7-2-1-3-8-14;/h1-5,7-10,17H,6,11-13,20H2;1H
InChIKeyBWVJWFLHGSOZJX-UHFFFAOYSA-N
MW406.88 g/mol
LogP3.25
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120664041) has the molecular formula C17H21ClF2N2O3S and a molecular weight of 406.88 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID120664041
Molecular FormulaC17H21ClF2N2O3S
Molecular Weight406.88 g/mol
Exact Mass406.09
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-9-4-5-10-16(15)25(22,23)21(12-6-11-20)13-14-7-2-1-3-8-14;/h1-5,7-10,17H,6,11-13,20H2;1H
InChIKeyBWVJWFLHGSOZJX-UHFFFAOYSA-N
XLogP3.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(2-aminoethyl)-2-(difluoromethoxy)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895699
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
N-(2-aminoethyl)-N-benzyl-3-chloro-4-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120584247
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
methyl 2-[3-aminopropyl(benzyl)sulfamoyl]-6-fluorobenzoate
CID 120664186
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride (CID 120664041) is N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BWVJWFLHGSOZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S.ClH/c18-17(19)24-15-9-4-5-10-16(15)25(22,23)21(12-6-11-20)13-14-7-2-1-3-8-14;/h1-5,7-10,17H,6,11-13,20H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 406.88 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).