N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide

C18H24N2O2S — CID 120664269

IUPACN-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O2S/c1-15-9-10-16(2)18(13-15)23(21,22)20(12-6-11-19)14-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3
InChIKeyOHIMGIQSWUAVBO-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.84
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide

N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide (PubChem CID 120664269) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
PubChem CID120664269
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O2S/c1-15-9-10-16(2)18(13-15)23(21,22)20(12-6-11-19)14-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3
InChIKeyOHIMGIQSWUAVBO-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120664274
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100781673
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 100781833
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120664424
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664064
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120664232

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide (CID 120664269) is N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(CCCN)Cc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is OHIMGIQSWUAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15-9-10-16(2)18(13-15)23(21,22)20(12-6-11-19)14-17-7-4-3-5-8-17/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide?
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 120664269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).