1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene

C7H10N2O3S — CID 170566276

IUPAC1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)[NH+](N)[O-])cc1
InChIInChI=1S/C7H10N2O3S/c1-6-2-4-7(5-3-6)13(11,12)9(8)10/h2-5,9H,8H2,1H3
InChIKeySIVBALWICVNGKK-UHFFFAOYSA-N
MW202.24 g/mol
LogP-1.06
Rot. Bonds2

About 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene

1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene (PubChem CID 170566276) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene
PubChem CID170566276
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)[NH+](N)[O-])cc1
InChIInChI=1S/C7H10N2O3S/c1-6-2-4-7(5-3-6)13(11,12)9(8)10/h2-5,9H,8H2,1H3
InChIKeySIVBALWICVNGKK-UHFFFAOYSA-N
XLogP-1.06
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
(4-methylphenyl)sulfonyloxidanium
CID 5175018
imino-bis(4-methylphenyl)-oxo-λ6-sulfane
CID 54310635
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
tris(4-methylbenzenesulfonate);praseodymium(3+)
CID 102466575
antimony(3+);tris(4-methylbenzenesulfonate)
CID 86736930

Frequently Asked Questions

What is the IUPAC name of 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene (CID 170566276) is 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)[NH+](N)[O-])cc1.
What is the InChIKey of 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene?
The InChIKey is SIVBALWICVNGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-6-2-4-7(5-3-6)13(11,12)9(8)10/h2-5,9H,8H2,1H3.
What are the key properties of 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene?
1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene has a molecular weight of 202.24 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(oxido)azaniumyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 170566276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).