N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

C18H25ClN2O4S2 — CID 120664178

IUPACN-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-8-10-18(11-9-17)26(23,24)20(13-5-12-19)14-16-6-3-2-4-7-16;/h2-4,6-11H,5,12-15,19H2,1H3;1H
InChIKeyMZWGABBVUXFEOG-UHFFFAOYSA-N
MW433.00 g/mol
LogP2.19
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 120664178) has the molecular formula C18H25ClN2O4S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
PubChem CID120664178
Molecular FormulaC18H25ClN2O4S2
Molecular Weight433.00 g/mol
Exact Mass432.09
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-8-10-18(11-9-17)26(23,24)20(13-5-12-19)14-16-6-3-2-4-7-16;/h2-4,6-11H,5,12-15,19H2,1H3;1H
InChIKeyMZWGABBVUXFEOG-UHFFFAOYSA-N
XLogP2.19
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)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-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 120664173
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-N-benzyl-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664281
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (CID 120664178) is N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is CS(=O)(=O)Cc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is MZWGABBVUXFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2.ClH/c1-25(21,22)15-17-8-10-18(11-9-17)26(23,24)20(13-5-12-19)14-16-6-3-2-4-7-16;/h2-4,6-11H,5,12-15,19H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).