CID 59587869

C15H12N2O4S — CID 59587869

IUPAC—
SMILES[CH]C(=O)c1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H12N2O4S/c1-10(18)13-4-2-3-5-14(13)15(19)17-11-6-8-12(9-7-11)22(16,20)21/h1-9H,(H,17,19)(H2,16,20,21)
InChIKeySPHRKJOLPHOIKI-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.48
Rot. Bonds4

About CID 59587869

CID 59587869 (PubChem CID 59587869) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol.

Molecular Properties

Compound NameCID 59587869
PubChem CID59587869
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name—
SMILES[CH]C(=O)c1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H12N2O4S/c1-10(18)13-4-2-3-5-14(13)15(19)17-11-6-8-12(9-7-11)22(16,20)21/h1-9H,(H,17,19)(H2,16,20,21)
InChIKeySPHRKJOLPHOIKI-UHFFFAOYSA-N
XLogP1.48
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
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2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
(2S)-2-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]propanoic acid
CID 102090823
2-(2-ethoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 17122684
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]carbamoyl]benzoate
CID 5084186
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002

Frequently Asked Questions

What is the IUPAC name of CID 59587869?
The IUPAC name of CID 59587869 (CID 59587869) is not available.
What is the SMILES notation for CID 59587869?
The canonical SMILES for CID 59587869 is [CH]C(=O)c1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of CID 59587869?
The InChIKey is SPHRKJOLPHOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-10(18)13-4-2-3-5-14(13)15(19)17-11-6-8-12(9-7-11)22(16,20)21/h1-9H,(H,17,19)(H2,16,20,21).
What are the key properties of CID 59587869?
CID 59587869 has a molecular weight of 316.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59587869 is sourced from PubChem (CID 59587869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).