N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride

C11H18ClN3O5S — CID 119988044

IUPACN-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H17N3O5S.ClH/c1-11(2,12)7-13-20(17,18)10-5-4-8(14(15)16)6-9(10)19-3;/h4-6,13H,7,12H2,1-3H3;1H
InChIKeyXPLVPSVNSDTIGF-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.04
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 119988044) has the molecular formula C11H18ClN3O5S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID119988044
Molecular FormulaC11H18ClN3O5S
Molecular Weight339.80 g/mol
Exact Mass339.07
IUPAC NameN-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N.Cl
InChIInChI=1S/C11H17N3O5S.ClH/c1-11(2,12)7-13-20(17,18)10-5-4-8(14(15)16)6-9(10)19-3;/h4-6,13H,7,12H2,1-3H3;1H
InChIKeyXPLVPSVNSDTIGF-UHFFFAOYSA-N
XLogP1.04
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.04
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-(2-hydroxy-2-methylbutyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 65113305
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
N-(2-chloroprop-2-enyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 113238992
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
CID 120711512
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
6-[(2-methoxy-4-nitrophenyl)sulfonylamino]hexanoic acid
CID 13192117
N-(2-amino-2-ethylbutyl)-2-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119989671
2-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-nitrobenzenesulfonamide
CID 55915160
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride (CID 119988044) is N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride is COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)N.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is XPLVPSVNSDTIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S.ClH/c1-11(2,12)7-13-20(17,18)10-5-4-8(14(15)16)6-9(10)19-3;/h4-6,13H,7,12H2,1-3H3;1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 339.80 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119988044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).