(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide

C13H11N2O4S- — CID 4740162

IUPAC(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
SMILESCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11N2O4S/c1-10-6-8-11(9-7-10)14-20(18,19)13-5-3-2-4-12(13)15(16)17/h2-9H,1H3/q-1
InChIKeyIDXZWWRNBXDLFL-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.30
Rot. Bonds4

About (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide

(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide (PubChem CID 4740162) has the molecular formula C13H11N2O4S- and a molecular weight of 291.31 g/mol. Its IUPAC name is (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide.

Molecular Properties

Compound Name(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
PubChem CID4740162
Molecular FormulaC13H11N2O4S-
Molecular Weight291.31 g/mol
Exact Mass291.04
IUPAC Name(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
SMILESCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11N2O4S/c1-10-6-8-11(9-7-10)14-20(18,19)13-5-3-2-4-12(13)15(16)17/h2-9H,1H3/q-1
InChIKeyIDXZWWRNBXDLFL-UHFFFAOYSA-N
XLogP3.30
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dimethylsulfonio-(2-nitrophenyl)sulfonylazanide
CID 177427762
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187
3-(4-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50889885
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
N-(4-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126183020
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide?
The IUPAC name of (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide (CID 4740162) is (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide.
What is the SMILES notation for (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide?
The canonical SMILES for (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide is Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide?
The InChIKey is IDXZWWRNBXDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2O4S/c1-10-6-8-11(9-7-10)14-20(18,19)13-5-3-2-4-12(13)15(16)17/h2-9H,1H3/q-1.
What are the key properties of (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide?
(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide has a molecular weight of 291.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-nitrophenyl)sulfonylazanide is sourced from PubChem (CID 4740162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).