CID 88884928

C11H10BN3O4S — CID 88884928

IUPAC—
SMILES[B]c1cnc(NS(=O)(=O)c2ccc(O)cc2)c(OC)n1
InChIInChI=1S/C11H10BN3O4S/c1-19-11-10(13-6-9(12)14-11)15-20(17,18)8-4-2-7(16)3-5-8/h2-6,16H,1H3,(H,13,15)
InChIKeyPROGNVAGZQTSNF-UHFFFAOYSA-N
MW291.10 g/mol
LogP-0.21
Rot. Bonds4

About CID 88884928

CID 88884928 (PubChem CID 88884928) has the molecular formula C11H10BN3O4S and a molecular weight of 291.10 g/mol.

Molecular Properties

Compound NameCID 88884928
PubChem CID88884928
Molecular FormulaC11H10BN3O4S
Molecular Weight291.10 g/mol
Exact Mass291.05
IUPAC Name—
SMILES[B]c1cnc(NS(=O)(=O)c2ccc(O)cc2)c(OC)n1
InChIInChI=1S/C11H10BN3O4S/c1-19-11-10(13-6-9(12)14-11)15-20(17,18)8-4-2-7(16)3-5-8/h2-6,16H,1H3,(H,13,15)
InChIKeyPROGNVAGZQTSNF-UHFFFAOYSA-N
XLogP-0.21
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 88884928 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
CID 10309892
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;ethanol
CID 68855747
N-(3-methoxypyrazin-2-yl)-4-nitrobenzenesulfonamide
CID 101043457
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 17134
4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide;chloroform
CID 68857071
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-[(5-bromo-2-hydroxyphenyl)methylamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 6624904

Frequently Asked Questions

What is the IUPAC name of CID 88884928?
The IUPAC name of CID 88884928 (CID 88884928) is not available.
What is the SMILES notation for CID 88884928?
The canonical SMILES for CID 88884928 is [B]c1cnc(NS(=O)(=O)c2ccc(O)cc2)c(OC)n1.
What is the InChIKey of CID 88884928?
The InChIKey is PROGNVAGZQTSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BN3O4S/c1-19-11-10(13-6-9(12)14-11)15-20(17,18)8-4-2-7(16)3-5-8/h2-6,16H,1H3,(H,13,15).
What are the key properties of CID 88884928?
CID 88884928 has a molecular weight of 291.10 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88884928 is sourced from PubChem (CID 88884928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).