2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide

C11H17N3O4S — CID 62148796

IUPAC2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H17N3O4S/c1-4-12-10-6-5-9(14(15)16)7-11(10)19(17,18)13-8(2)3/h5-8,12-13H,4H2,1-3H3
InChIKeyJGHCOWNVLDLVFZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.71
Rot. Bonds6

About 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide

2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide (PubChem CID 62148796) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
PubChem CID62148796
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H17N3O4S/c1-4-12-10-6-5-9(14(15)16)7-11(10)19(17,18)13-8(2)3/h5-8,12-13H,4H2,1-3H3
InChIKeyJGHCOWNVLDLVFZ-UHFFFAOYSA-N
XLogP1.71
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62149857
N-butyl-2-(ethylamino)-5-nitrobenzenesulfonamide
CID 62148698
2-(ethylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62150190
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
N-hexan-2-yl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62199906
N-(1-cyclopropylethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62147833
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
2-(ethylamino)-N-methyl-4-nitro-N-propan-2-ylbenzenesulfonamide
CID 62150954
2-(butylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155168019
N-tert-butyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62148960
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide (CID 62148796) is 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide is CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is JGHCOWNVLDLVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-12-10-6-5-9(14(15)16)7-11(10)19(17,18)13-8(2)3/h5-8,12-13H,4H2,1-3H3.
What are the key properties of 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide?
2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-nitro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62148796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).