N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride

C13H22ClN3O5S — CID 119992978

IUPACN-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H21N3O5S.ClH/c1-3-4-5-10(9-14)15-22(19,20)13-7-6-11(21-2)8-12(13)16(17)18;/h6-8,10,15H,3-5,9,14H2,1-2H3;1H
InChIKeyRVZQPROLZRTISS-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.82
Rot. Bonds9

About N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119992978) has the molecular formula C13H22ClN3O5S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
PubChem CID119992978
Molecular FormulaC13H22ClN3O5S
Molecular Weight367.86 g/mol
Exact Mass367.10
IUPAC NameN-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H21N3O5S.ClH/c1-3-4-5-10(9-14)15-22(19,20)13-7-6-11(21-2)8-12(13)16(17)18;/h6-8,10,15H,3-5,9,14H2,1-2H3;1H
InChIKeyRVZQPROLZRTISS-UHFFFAOYSA-N
XLogP1.82
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-(1-aminopentan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 65193073
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
N-(1-aminohexan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120712495
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(2-aminoethyl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119960005
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43502283
4-methoxy-2-nitro-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994519
N-(4-methoxy-2-nitrophenyl)sulfonylpentanamide
CID 47052146
N-(2-hydroxypentyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 115754543
N-(1-aminohexan-2-yl)-5-nitroquinoline-8-sulfonamide
CID 120712483

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride (CID 119992978) is N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is RVZQPROLZRTISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S.ClH/c1-3-4-5-10(9-14)15-22(19,20)13-7-6-11(21-2)8-12(13)16(17)18;/h6-8,10,15H,3-5,9,14H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).