CID 135981069

C15H13N4O3S — CID 135981069

IUPAC—
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccc(S([NH])(=O)=O)cc3)c2c1
InChIInChI=1S/C15H13N4O3S/c1-9-2-7-13-12(8-9)14(15(20)17-13)19-18-10-3-5-11(6-4-10)23(16,21)22/h2-8,16-17,20H,1H3/b19-18+
InChIKeyLXJZTEYSMZLWRV-VHEBQXMUSA-N
MW329.36 g/mol
LogP3.57
Rot. Bonds3

About CID 135981069

CID 135981069 (PubChem CID 135981069) has the molecular formula C15H13N4O3S and a molecular weight of 329.36 g/mol.

Molecular Properties

Compound NameCID 135981069
PubChem CID135981069
Molecular FormulaC15H13N4O3S
Molecular Weight329.36 g/mol
Exact Mass329.07
IUPAC Name—
SMILESCc1ccc2[nH]c(O)c(/N=N/c3ccc(S([NH])(=O)=O)cc3)c2c1
InChIInChI=1S/C15H13N4O3S/c1-9-2-7-13-12(8-9)14(15(20)17-13)19-18-10-3-5-11(6-4-10)23(16,21)22/h2-8,16-17,20H,1H3/b19-18+
InChIKeyLXJZTEYSMZLWRV-VHEBQXMUSA-N
XLogP3.57
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 136867473
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
CID 135775393
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
4-[(6-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434992
CID 135981027
CID 135981027
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277

Frequently Asked Questions

What is the IUPAC name of CID 135981069?
The IUPAC name of CID 135981069 (CID 135981069) is not available.
What is the SMILES notation for CID 135981069?
The canonical SMILES for CID 135981069 is Cc1ccc2[nH]c(O)c(/N=N/c3ccc(S([NH])(=O)=O)cc3)c2c1.
What is the InChIKey of CID 135981069?
The InChIKey is LXJZTEYSMZLWRV-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13N4O3S/c1-9-2-7-13-12(8-9)14(15(20)17-13)19-18-10-3-5-11(6-4-10)23(16,21)22/h2-8,16-17,20H,1H3/b19-18+.
What are the key properties of CID 135981069?
CID 135981069 has a molecular weight of 329.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135981069 is sourced from PubChem (CID 135981069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).