1-[amino(sulfosulfonyl)amino]-4-methylbenzene

C7H10N2O5S2 — CID 141367488

IUPAC1-[amino(sulfosulfonyl)amino]-4-methylbenzene
SMILESCc1ccc(N(N)S(=O)(=O)S(=O)(=O)O)cc1
InChIInChI=1S/C7H10N2O5S2/c1-6-2-4-7(5-3-6)9(8)15(10,11)16(12,13)14/h2-5H,8H2,1H3,(H,12,13,14)
InChIKeyGENACCYFSZTANH-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.19
Rot. Bonds3

About 1-[amino(sulfosulfonyl)amino]-4-methylbenzene

1-[amino(sulfosulfonyl)amino]-4-methylbenzene (PubChem CID 141367488) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[amino(sulfosulfonyl)amino]-4-methylbenzene.

Molecular Properties

Compound Name1-[amino(sulfosulfonyl)amino]-4-methylbenzene
PubChem CID141367488
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name1-[amino(sulfosulfonyl)amino]-4-methylbenzene
SMILESCc1ccc(N(N)S(=O)(=O)S(=O)(=O)O)cc1
InChIInChI=1S/C7H10N2O5S2/c1-6-2-4-7(5-3-6)9(8)15(10,11)16(12,13)14/h2-5H,8H2,1H3,(H,12,13,14)
InChIKeyGENACCYFSZTANH-UHFFFAOYSA-N
XLogP-0.19
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sulfuric acid;1,4-xylene
CID 18423372
methanesulfonic acid;4-methylaniline
CID 175567140
azane;4-methylbenzenesulfonic acid;hydrate
CID 87973171
4-methylbenzenesulfonic acid
CID 157221593
N-methoxy-N-(4-methylphenyl)methanesulfonamide
CID 166448658
4-(N-[4-(N,4-dimethylanilino)phenyl]-4-methylanilino)benzenesulfonic acid
CID 59222690
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
λ2-stannane;4-methylbenzenesulfonic acid
CID 173313269
1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
CID 140975606
CID 6371597
CID 6371597
2-hydroxy-3-(N-(2-hydroxy-3-sulfopropyl)-4-methylanilino)propane-1-sulfonic acid
CID 87235375
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of 1-[amino(sulfosulfonyl)amino]-4-methylbenzene?
The IUPAC name of 1-[amino(sulfosulfonyl)amino]-4-methylbenzene (CID 141367488) is 1-[amino(sulfosulfonyl)amino]-4-methylbenzene.
What is the SMILES notation for 1-[amino(sulfosulfonyl)amino]-4-methylbenzene?
The canonical SMILES for 1-[amino(sulfosulfonyl)amino]-4-methylbenzene is Cc1ccc(N(N)S(=O)(=O)S(=O)(=O)O)cc1.
What is the InChIKey of 1-[amino(sulfosulfonyl)amino]-4-methylbenzene?
The InChIKey is GENACCYFSZTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-6-2-4-7(5-3-6)9(8)15(10,11)16(12,13)14/h2-5H,8H2,1H3,(H,12,13,14).
What are the key properties of 1-[amino(sulfosulfonyl)amino]-4-methylbenzene?
1-[amino(sulfosulfonyl)amino]-4-methylbenzene has a molecular weight of 266.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(sulfosulfonyl)amino]-4-methylbenzene is sourced from PubChem (CID 141367488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).