N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride

C12H20ClIN2O2S — CID 119991890

IUPACN-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C12H19IN2O2S.ClH/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11;/h4-7H,8-9,14H2,1-3H3;1H
InChIKeyMOPALQNYPHTZQF-UHFFFAOYSA-N
MW418.73 g/mol
LogP2.32
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119991890) has the molecular formula C12H20ClIN2O2S and a molecular weight of 418.73 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119991890
Molecular FormulaC12H20ClIN2O2S
Molecular Weight418.73 g/mol
Exact Mass418.00
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C12H19IN2O2S.ClH/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11;/h4-7H,8-9,14H2,1-3H3;1H
InChIKeyMOPALQNYPHTZQF-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 119991572
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
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)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,3,5-trimethylbenzenesulfonamide;hydrochloride
CID 119991563
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride (CID 119991890) is N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1cccc(I)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is MOPALQNYPHTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2S.ClH/c1-12(2,8-14)9-15(3)18(16,17)11-6-4-5-10(13)7-11;/h4-7H,8-9,14H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 418.73 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).