2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide

C11H17N3O5S — CID 62156801

IUPAC2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H17N3O5S/c1-3-19-7-8(2)13-20(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8,13H,3,7,12H2,1-2H3
InChIKeyCUXJUFYIYPHOJT-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.88
Rot. Bonds7

About 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide

2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide (PubChem CID 62156801) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
PubChem CID62156801
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C11H17N3O5S/c1-3-19-7-8(2)13-20(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8,13H,3,7,12H2,1-2H3
InChIKeyCUXJUFYIYPHOJT-UHFFFAOYSA-N
XLogP0.88
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitrobenzenesulfonamide
CID 104829823
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62163370
5-amino-N-(1-ethoxypropan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747699
3-amino-4-(1-ethoxypropan-2-ylsulfamoyl)benzoic acid
CID 81471128
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906
N-(1-methoxypropan-2-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 45351483
2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
CID 62143602
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
N-(1-ethoxypropan-2-yl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80731435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide (CID 62156801) is 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide is CCOCC(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide?
The InChIKey is CUXJUFYIYPHOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-3-19-7-8(2)13-20(17,18)11-6-9(14(15)16)4-5-10(11)12/h4-6,8,13H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide?
2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethoxypropan-2-yl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62156801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).