[benzenesulfonyl(sulfino)sulfamoyl]benzene

C12H11NO6S3 — CID 155757825

IUPAC[benzenesulfonyl(sulfino)sulfamoyl]benzene
SMILESO=S(O)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO6S3/c14-20(15)13(21(16,17)11-7-3-1-4-8-11)22(18,19)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyKYACITFMKHQNMX-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.20
Rot. Bonds5

About [benzenesulfonyl(sulfino)sulfamoyl]benzene

[benzenesulfonyl(sulfino)sulfamoyl]benzene (PubChem CID 155757825) has the molecular formula C12H11NO6S3 and a molecular weight of 361.42 g/mol. Its IUPAC name is [benzenesulfonyl(sulfino)sulfamoyl]benzene.

Molecular Properties

Compound Name[benzenesulfonyl(sulfino)sulfamoyl]benzene
PubChem CID155757825
Molecular FormulaC12H11NO6S3
Molecular Weight361.42 g/mol
Exact Mass360.97
IUPAC Name[benzenesulfonyl(sulfino)sulfamoyl]benzene
SMILESO=S(O)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO6S3/c14-20(15)13(21(16,17)11-7-3-1-4-8-11)22(18,19)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeyKYACITFMKHQNMX-UHFFFAOYSA-N
XLogP1.20
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859
benzenesulfonic acid
CID 87196622
(114C)methylsulfonylbenzene
CID 15557274
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343
N-(2-hydroxyethyl)benzenesulfonohydrazide
CID 15634697
3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
azetidin-3-yl(benzenesulfonyl)carbamic acid
CID 68809801
potassium benzenesulfonic acid
CID 19930600
benzenesulfonic acid;manganese
CID 87184776

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(sulfino)sulfamoyl]benzene?
The IUPAC name of [benzenesulfonyl(sulfino)sulfamoyl]benzene (CID 155757825) is [benzenesulfonyl(sulfino)sulfamoyl]benzene.
What is the SMILES notation for [benzenesulfonyl(sulfino)sulfamoyl]benzene?
The canonical SMILES for [benzenesulfonyl(sulfino)sulfamoyl]benzene is O=S(O)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(sulfino)sulfamoyl]benzene?
The InChIKey is KYACITFMKHQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO6S3/c14-20(15)13(21(16,17)11-7-3-1-4-8-11)22(18,19)12-9-5-2-6-10-12/h1-10H,(H,14,15).
What are the key properties of [benzenesulfonyl(sulfino)sulfamoyl]benzene?
[benzenesulfonyl(sulfino)sulfamoyl]benzene has a molecular weight of 361.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(sulfino)sulfamoyl]benzene is sourced from PubChem (CID 155757825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).