N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide

C11H19N5O4S — CID 106343389

IUPACN-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
SMILESCCNc1cc([N+](=O)[O-])cc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H19N5O4S/c1-3-12-10-7-9(16(17)18)8-11(15-10)13-5-6-21(19,20)14-4-2/h7-8,14H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyMMXDPOOECOGYDT-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.77
Rot. Bonds9

About N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide

N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 106343389) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
PubChem CID106343389
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC NameN-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
SMILESCCNc1cc([N+](=O)[O-])cc(NCCS(=O)(=O)NCC)n1
InChIInChI=1S/C11H19N5O4S/c1-3-12-10-7-9(16(17)18)8-11(15-10)13-5-6-21(19,20)14-4-2/h7-8,14H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyMMXDPOOECOGYDT-UHFFFAOYSA-N
XLogP0.77
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide 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-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
N-ethyl-2-(3-methyl-5-nitroanilino)ethanesulfonamide
CID 106338547
N-ethyl-2-[(5-nitropyrimidin-2-yl)amino]ethanesulfonamide
CID 104626060
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
N-ethyl-2-[3-(ethylamino)-2-nitroanilino]ethanesulfonamide
CID 106343361
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide (CID 106343389) is N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide is CCNc1cc([N+](=O)[O-])cc(NCCS(=O)(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is MMXDPOOECOGYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-3-12-10-7-9(16(17)18)8-11(15-10)13-5-6-21(19,20)14-4-2/h7-8,14H,3-6H2,1-2H3,(H2,12,13,15).
What are the key properties of N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide?
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 106343389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).