N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide

C17H22N2O3S — CID 120664143

IUPACN-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-22-16-10-5-6-11-17(16)23(20,21)19(13-7-12-18)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14,18H2,1H3
InChIKeyBSUJNPJCOYYFGY-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.23
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide

N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide (PubChem CID 120664143) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
PubChem CID120664143
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H22N2O3S/c1-22-16-10-5-6-11-17(16)23(20,21)19(13-7-12-18)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14,18H2,1H3
InChIKeyBSUJNPJCOYYFGY-UHFFFAOYSA-N
XLogP2.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
methyl 2-[3-aminopropyl(benzyl)sulfamoyl]-6-fluorobenzoate
CID 120664186
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120664424
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide (CID 120664143) is N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide?
The InChIKey is BSUJNPJCOYYFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-16-10-5-6-11-17(16)23(20,21)19(13-7-12-18)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide?
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.23, 8 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-methoxybenzenesulfonamide is sourced from PubChem (CID 120664143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).