4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide

C11H15N3O4S — CID 62156942

IUPAC4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c1-11(2)6-10(11)13-19(17,18)9-4-3-7(12)5-8(9)14(15)16/h3-5,10,13H,6,12H2,1-2H3
InChIKeyIUFGCAOMMGPQGG-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide

4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide (PubChem CID 62156942) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide
PubChem CID62156942
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4S/c1-11(2)6-10(11)13-19(17,18)9-4-3-7(12)5-8(9)14(15)16/h3-5,10,13H,6,12H2,1-2H3
InChIKeyIUFGCAOMMGPQGG-UHFFFAOYSA-N
XLogP1.25
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
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

4-chloro-N-(2,2-dimethylcyclopropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 81042814
4-amino-N-(3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 62145119
N-(2,2-dimethylcyclopropyl)-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62157307
N-(2,2-dimethylcyclopropyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 112674555
2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
CID 62153300
4-amino-N-hexan-3-yl-2-nitrobenzenesulfonamide
CID 62145819
4-amino-N-(2,2-dimethylcyclopropyl)naphthalene-1-sulfonamide
CID 115944462
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
2-amino-N-(2,2-dimethylcyclopentyl)-4-nitrobenzenesulfonamide
CID 79870556
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide (CID 62156942) is 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide is CC1(C)CC1NS(=O)(=O)c1ccc(N)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide?
The InChIKey is IUFGCAOMMGPQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-11(2)6-10(11)13-19(17,18)9-4-3-7(12)5-8(9)14(15)16/h3-5,10,13H,6,12H2,1-2H3.
What are the key properties of 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide?
4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylcyclopropyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62156942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).