N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride

C12H20ClIN2O2S — CID 119993373

IUPACN-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C12H19IN2O2S.ClH/c1-2-3-6-11(9-14)15-18(16,17)12-7-4-5-10(13)8-12;/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3;1H
InChIKeyAYMVLEMBKYBCLT-UHFFFAOYSA-N
MW418.73 g/mol
LogP2.51
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride (PubChem CID 119993373) has the molecular formula C12H20ClIN2O2S and a molecular weight of 418.73 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
PubChem CID119993373
Molecular FormulaC12H20ClIN2O2S
Molecular Weight418.73 g/mol
Exact Mass418.00
IUPAC NameN-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C12H19IN2O2S.ClH/c1-2-3-6-11(9-14)15-18(16,17)12-7-4-5-10(13)8-12;/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3;1H
InChIKeyAYMVLEMBKYBCLT-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride (CID 119993373) is N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1cccc(I)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride?
The InChIKey is AYMVLEMBKYBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2S.ClH/c1-2-3-6-11(9-14)15-18(16,17)12-7-4-5-10(13)8-12;/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride has a molecular weight of 418.73 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).