CID 89209993

C12H15BN2O2S — CID 89209993

IUPAC—
SMILES[B]C1CCC(NS(=O)(=O)c2ccc(C)cc2)=NC1
InChIInChI=1S/C12H15BN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)
InChIKeyJJJZRTCXZHXAGZ-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.42
Rot. Bonds2

About CID 89209993

CID 89209993 (PubChem CID 89209993) has the molecular formula C12H15BN2O2S and a molecular weight of 262.14 g/mol.

Molecular Properties

Compound NameCID 89209993
PubChem CID89209993
Molecular FormulaC12H15BN2O2S
Molecular Weight262.14 g/mol
Exact Mass262.09
IUPAC Name—
SMILES[B]C1CCC(NS(=O)(=O)c2ccc(C)cc2)=NC1
InChIInChI=1S/C12H15BN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15)
InChIKeyJJJZRTCXZHXAGZ-UHFFFAOYSA-N
XLogP1.42
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
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N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 134957986
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 57069610
N-[(2R)-2-(4-methoxyphenyl)-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 132533990
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of CID 89209993?
The IUPAC name of CID 89209993 (CID 89209993) is not available.
What is the SMILES notation for CID 89209993?
The canonical SMILES for CID 89209993 is [B]C1CCC(NS(=O)(=O)c2ccc(C)cc2)=NC1.
What is the InChIKey of CID 89209993?
The InChIKey is JJJZRTCXZHXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15).
What are the key properties of CID 89209993?
CID 89209993 has a molecular weight of 262.14 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89209993 is sourced from PubChem (CID 89209993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).