N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

C15H27ClN2O4S — CID 119993050

IUPACN-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O4S.ClH/c1-3-4-5-13(12-16)17-22(18,19)15-8-6-14(7-9-15)21-11-10-20-2;/h6-9,13,17H,3-5,10-12,16H2,1-2H3;1H
InChIKeyXIRHIIPLPIWVSZ-UHFFFAOYSA-N
MW366.91 g/mol
LogP1.93
Rot. Bonds11

About N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119993050) has the molecular formula C15H27ClN2O4S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
PubChem CID119993050
Molecular FormulaC15H27ClN2O4S
Molecular Weight366.91 g/mol
Exact Mass366.14
IUPAC NameN-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C15H26N2O4S.ClH/c1-3-4-5-13(12-16)17-22(18,19)15-8-6-14(7-9-15)21-11-10-20-2;/h6-9,13,17H,3-5,10-12,16H2,1-2H3;1H
InChIKeyXIRHIIPLPIWVSZ-UHFFFAOYSA-N
XLogP1.93
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119993089
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride (CID 119993050) is N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(OCCOC)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is XIRHIIPLPIWVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S.ClH/c1-3-4-5-13(12-16)17-22(18,19)15-8-6-14(7-9-15)21-11-10-20-2;/h6-9,13,17H,3-5,10-12,16H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 1.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).