N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride

C13H22ClIN2O2S — CID 119992395

IUPACN-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C13H21IN2O2S.ClH/c1-10(2)13(15)7-8-16(3)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,7-8,15H2,1-3H3;1H
InChIKeyMISLKMBAGLKAET-UHFFFAOYSA-N
MW432.76 g/mol
LogP2.71
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119992395) has the molecular formula C13H22ClIN2O2S and a molecular weight of 432.76 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119992395
Molecular FormulaC13H22ClIN2O2S
Molecular Weight432.76 g/mol
Exact Mass432.01
IUPAC NameN-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C13H21IN2O2S.ClH/c1-10(2)13(15)7-8-16(3)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,7-8,15H2,1-3H3;1H
InChIKeyMISLKMBAGLKAET-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.76
LogP ≤ 52.71
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-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
CID 119992157
N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119992275

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride (CID 119992395) is N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)c1cccc(I)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is MISLKMBAGLKAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN2O2S.ClH/c1-10(2)13(15)7-8-16(3)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,7-8,15H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 432.76 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).