N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide

C11H17N3O5S — CID 63194359

IUPACN-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)CN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O5S/c1-11(2,7-12)13-20(17,18)8-4-5-10(19-3)9(6-8)14(15)16/h4-6,13H,7,12H2,1-3H3
InChIKeyBLVQZLDTNNGBTO-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.62
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide

N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide (PubChem CID 63194359) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
PubChem CID63194359
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)CN)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O5S/c1-11(2,7-12)13-20(17,18)8-4-5-10(19-3)9(6-8)14(15)16/h4-6,13H,7,12H2,1-3H3
InChIKeyBLVQZLDTNNGBTO-UHFFFAOYSA-N
XLogP0.62
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.62
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'}

Analyze N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanopropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 61127916
N-(1-amino-2-methylpropan-2-yl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide
CID 119975655
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide
CID 119975780
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
N-(1-amino-2-methylpropan-2-yl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119975779
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
4-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-3-nitrobenzenesulfonamide
CID 138043278
N-(1,3-dihydroxypropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 65314295
N-[(2S)-2-hydroxypropyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 83030727
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-5-nitrobenzenesulfonamide
CID 120709178

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide (CID 63194359) is N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)CN)cc1[N+](=O)[O-].
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is BLVQZLDTNNGBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-11(2,7-12)13-20(17,18)8-4-5-10(19-3)9(6-8)14(15)16/h4-6,13H,7,12H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 63194359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).