2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide

C11H17N3O4S — CID 62143955

IUPAC2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H17N3O4S/c1-8(2)7-13(3)19(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8H,7,12H2,1-3H3
InChIKeyWEQYEVWIZAFLHG-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide

2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide (PubChem CID 62143955) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
PubChem CID62143955
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H17N3O4S/c1-8(2)7-13(3)19(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8H,7,12H2,1-3H3
InChIKeyWEQYEVWIZAFLHG-UHFFFAOYSA-N
XLogP1.45
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-methyl-N-(2-methylpropyl)-5-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

2-amino-N-methyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62143776
2-amino-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzenesulfonamide
CID 62151323
2-[methyl(2-methylpropyl)amino]-5-nitrobenzenesulfonamide
CID 47464103
2-amino-N-(cyclopropylmethyl)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62152236
1-(2-amino-5-nitrophenyl)sulfonylethanol
CID 67948143
1-N-(2-methylpropyl)-4-nitro-1-N-propan-2-ylbenzene-1,2-diamine
CID 62507801
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
3-amino-N-(2-cyanopropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 115993477
N-(3-amino-4-methylpentyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 119991911
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
ethyl 2-[(2-amino-5-nitrophenyl)sulfonyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 91730126
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide (CID 62143955) is 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
The InChIKey is WEQYEVWIZAFLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8(2)7-13(3)19(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide?
2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62143955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).