CID 162336330

C17H14N2NaO6S2 — CID 162336330

IUPAC—
SMILESCc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1ccon1)OCO2.[Na]
InChIInChI=1S/C17H14N2O6S2.Na/c1-10-6-13-14(24-9-23-13)8-11(10)7-12(20)17-15(3-5-26-17)27(21,22)19-16-2-4-25-18-16;/h2-6,8H,7,9H2,1H3,(H,18,19);
InChIKeyUTPQJFGBUAOSBV-UHFFFAOYSA-N
MW429.43 g/mol
LogP2.62
Rot. Bonds6

About CID 162336330

CID 162336330 (PubChem CID 162336330) has the molecular formula C17H14N2NaO6S2 and a molecular weight of 429.43 g/mol.

Molecular Properties

Compound NameCID 162336330
PubChem CID162336330
Molecular FormulaC17H14N2NaO6S2
Molecular Weight429.43 g/mol
Exact Mass429.02
IUPAC Name—
SMILESCc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1ccon1)OCO2.[Na]
InChIInChI=1S/C17H14N2O6S2.Na/c1-10-6-13-14(24-9-23-13)8-11(10)7-12(20)17-15(3-5-26-17)27(21,22)19-16-2-4-25-18-16;/h2-6,8H,7,9H2,1H3,(H,18,19);
InChIKeyUTPQJFGBUAOSBV-UHFFFAOYSA-N
XLogP2.62
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 10274552
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;phosphoric acid
CID 146158089
sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
CID 11477084
N-(4-chloro-1,2-oxazol-3-yl)-2-[2-(6-methyl-3H-1,2-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 87746690
2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 10502226
methyl 6-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxylate
CID 141224699
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4,5-dihydroxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 71055563
sodium (3-chloro-4-methylfuran-2-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
CID 75464813
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 157100028
N-(6-methyl-1,3-benzodioxol-5-yl)-3-([1,2,5]thiadiazolo[3,4-b]pyridin-5-ylsulfamoyl)thiophene-2-carboxamide
CID 70235864
5-(chloromethyl)-2,2-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxole;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[2,2-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 159874583
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215

Frequently Asked Questions

What is the IUPAC name of CID 162336330?
The IUPAC name of CID 162336330 (CID 162336330) is not available.
What is the SMILES notation for CID 162336330?
The canonical SMILES for CID 162336330 is Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1ccon1)OCO2.[Na].
What is the InChIKey of CID 162336330?
The InChIKey is UTPQJFGBUAOSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S2.Na/c1-10-6-13-14(24-9-23-13)8-11(10)7-12(20)17-15(3-5-26-17)27(21,22)19-16-2-4-25-18-16;/h2-6,8H,7,9H2,1H3,(H,18,19);.
What are the key properties of CID 162336330?
CID 162336330 has a molecular weight of 429.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162336330 is sourced from PubChem (CID 162336330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).