CID 90391328

C8H10BNO2S — CID 90391328

IUPAC—
SMILES[B]c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C8H10BNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyIYTYSIPAUIABET-UHFFFAOYSA-N
MW195.05 g/mol
LogP-0.27
Rot. Bonds2

About CID 90391328

CID 90391328 (PubChem CID 90391328) has the molecular formula C8H10BNO2S and a molecular weight of 195.05 g/mol.

Molecular Properties

Compound NameCID 90391328
PubChem CID90391328
Molecular FormulaC8H10BNO2S
Molecular Weight195.05 g/mol
Exact Mass195.05
IUPAC Name—
SMILES[B]c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C8H10BNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyIYTYSIPAUIABET-UHFFFAOYSA-N
XLogP-0.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
CID 156503905
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177

Frequently Asked Questions

What is the IUPAC name of CID 90391328?
The IUPAC name of CID 90391328 (CID 90391328) is not available.
What is the SMILES notation for CID 90391328?
The canonical SMILES for CID 90391328 is [B]c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of CID 90391328?
The InChIKey is IYTYSIPAUIABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of CID 90391328?
CID 90391328 has a molecular weight of 195.05 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90391328 is sourced from PubChem (CID 90391328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).