4-methoxy-2-nitro-1-(sulfonylamino)benzene

C7H6N2O5S — CID 174785505

IUPAC4-methoxy-2-nitro-1-(sulfonylamino)benzene
SMILESCOc1ccc(N=S(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O5S/c1-14-5-2-3-6(8-15(12)13)7(4-5)9(10)11/h2-4H,1H3
InChIKeyUUNDCLLJKAVVRV-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.30
Rot. Bonds3

About 4-methoxy-2-nitro-1-(sulfonylamino)benzene

4-methoxy-2-nitro-1-(sulfonylamino)benzene (PubChem CID 174785505) has the molecular formula C7H6N2O5S and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-methoxy-2-nitro-1-(sulfonylamino)benzene.

Molecular Properties

Compound Name4-methoxy-2-nitro-1-(sulfonylamino)benzene
PubChem CID174785505
Molecular FormulaC7H6N2O5S
Molecular Weight230.20 g/mol
Exact Mass230.00
IUPAC Name4-methoxy-2-nitro-1-(sulfonylamino)benzene
SMILESCOc1ccc(N=S(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O5S/c1-14-5-2-3-6(8-15(12)13)7(4-5)9(10)11/h2-4H,1H3
InChIKeyUUNDCLLJKAVVRV-UHFFFAOYSA-N
XLogP1.30
TPSA98.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

CID 59771362
CID 59771362
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
sodium 4-methoxy-2-nitrobenzenethiol
CID 23676641
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
1-isocyano-4-methoxy-2-nitrobenzene
CID 11788603
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
(E)-3-hydroxy-2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624063
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-1-(sulfonylamino)benzene?
The IUPAC name of 4-methoxy-2-nitro-1-(sulfonylamino)benzene (CID 174785505) is 4-methoxy-2-nitro-1-(sulfonylamino)benzene.
What is the SMILES notation for 4-methoxy-2-nitro-1-(sulfonylamino)benzene?
The canonical SMILES for 4-methoxy-2-nitro-1-(sulfonylamino)benzene is COc1ccc(N=S(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-1-(sulfonylamino)benzene?
The InChIKey is UUNDCLLJKAVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5S/c1-14-5-2-3-6(8-15(12)13)7(4-5)9(10)11/h2-4H,1H3.
What are the key properties of 4-methoxy-2-nitro-1-(sulfonylamino)benzene?
4-methoxy-2-nitro-1-(sulfonylamino)benzene has a molecular weight of 230.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-1-(sulfonylamino)benzene is sourced from PubChem (CID 174785505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).