N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide

C10H13N3O6S — CID 142411393

IUPACN-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)CCNC(C)=O)n1
InChIInChI=1S/C10H13N3O6S/c1-7(14)11-5-6-20(17,18)10-8(13(15)16)3-4-9(12-10)19-2/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyHIYRLWQJJBWIGX-UHFFFAOYSA-N
MW303.30 g/mol
LogP-0.09
Rot. Bonds6

About N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide

N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide (PubChem CID 142411393) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
PubChem CID142411393
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC NameN-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(S(=O)(=O)CCNC(C)=O)n1
InChIInChI=1S/C10H13N3O6S/c1-7(14)11-5-6-20(17,18)10-8(13(15)16)3-4-9(12-10)19-2/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyHIYRLWQJJBWIGX-UHFFFAOYSA-N
XLogP-0.09
TPSA128.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
CID 12036409
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
2-(1H-imidazol-2-ylsulfonyl)-6-methoxy-3-nitropyridine
CID 153406645
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 115323386
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide?
The IUPAC name of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide (CID 142411393) is N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide is COc1ccc([N+](=O)[O-])c(S(=O)(=O)CCNC(C)=O)n1.
What is the InChIKey of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide?
The InChIKey is HIYRLWQJJBWIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c1-7(14)11-5-6-20(17,18)10-8(13(15)16)3-4-9(12-10)19-2/h3-4H,5-6H2,1-2H3,(H,11,14).
What are the key properties of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide?
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide has a molecular weight of 303.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfonyl]ethyl]acetamide is sourced from PubChem (CID 142411393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).