2-amino-N-tert-butyl-5-nitrobenzenesulfonamide

C10H15N3O4S — CID 62148445

IUPAC2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C10H15N3O4S/c1-10(2,3)12-18(16,17)9-6-7(13(14)15)4-5-8(9)11/h4-6,12H,11H2,1-3H3
InChIKeyLDYQDJZJYVFYTO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide

2-amino-N-tert-butyl-5-nitrobenzenesulfonamide (PubChem CID 62148445) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
PubChem CID62148445
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C10H15N3O4S/c1-10(2,3)12-18(16,17)9-6-7(13(14)15)4-5-8(9)11/h4-6,12H,11H2,1-3H3
InChIKeyLDYQDJZJYVFYTO-UHFFFAOYSA-N
XLogP1.25
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitrobenzenesulfonamide
CID 104829823
methyl 2-(tert-butylsulfamoyl)-4-nitrobenzoate
CID 15240542
N-tert-butyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62148960
2-amino-5-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148380
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
2-amino-N-(3-ethylpentan-3-yl)-4-nitrobenzenesulfonamide
CID 65042718
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
sodium;2-amino-5-nitrobenzenesulfonate;azane
CID 173065886
N-tert-butyl-3-chloro-2-hydroxy-5-nitrobenzenesulfonamide
CID 19966612
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298
1-(2-amino-5-nitrophenyl)sulfonylethanol
CID 67948143

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide (CID 62148445) is 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide?
The InChIKey is LDYQDJZJYVFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(2,3)12-18(16,17)9-6-7(13(14)15)4-5-8(9)11/h4-6,12H,11H2,1-3H3.
What are the key properties of 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide?
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62148445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).