N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

C14H25ClN2O4S2 — CID 119991826

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-14(2,10-15)11-16(3)22(19,20)13-7-5-12(6-8-13)9-21(4,17)18;/h5-8H,9-11,15H2,1-4H3;1H
InChIKeyXZLFARDHKSXSLE-UHFFFAOYSA-N
MW384.95 g/mol
LogP1.26
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119991826) has the molecular formula C14H25ClN2O4S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119991826
Molecular FormulaC14H25ClN2O4S2
Molecular Weight384.95 g/mol
Exact Mass384.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-14(2,10-15)11-16(3)22(19,20)13-7-5-12(6-8-13)9-21(4,17)18;/h5-8H,9-11,15H2,1-4H3;1H
InChIKeyXZLFARDHKSXSLE-UHFFFAOYSA-N
XLogP1.26
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-4-(butylsulfonylamino)-N-methylbenzenesulfonamide;hydrochloride
CID 119991560
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (CID 119991826) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is XZLFARDHKSXSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2.ClH/c1-14(2,10-15)11-16(3)22(19,20)13-7-5-12(6-8-13)9-21(4,17)18;/h5-8H,9-11,15H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).