CID 155225246

C21H28N6NaO4S — CID 155225246

IUPAC—
SMILESCn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[Na]
InChIInChI=1S/C21H28N6O4S.Na/c1-26-13-22-20(24-26)27(16-8-10-31-11-9-16)32(29,30)25-21(28)23-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;/h12-13,16H,2-11H2,1H3,(H2,23,25,28);
InChIKeySVSSBLRHPQVFNY-UHFFFAOYSA-N
MW483.55 g/mol
LogP1.46
Rot. Bonds5

About CID 155225246

CID 155225246 (PubChem CID 155225246) has the molecular formula C21H28N6NaO4S and a molecular weight of 483.55 g/mol.

Molecular Properties

Compound NameCID 155225246
PubChem CID155225246
Molecular FormulaC21H28N6NaO4S
Molecular Weight483.55 g/mol
Exact Mass483.18
IUPAC Name—
SMILESCn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[Na]
InChIInChI=1S/C21H28N6O4S.Na/c1-26-13-22-20(24-26)27(16-8-10-31-11-9-16)32(29,30)25-21(28)23-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;/h12-13,16H,2-11H2,1H3,(H2,23,25,28);
InChIKeySVSSBLRHPQVFNY-UHFFFAOYSA-N
XLogP1.46
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-1,2,4-triazol-3-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155225247
CID 155225081
CID 155225081
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyltetrazol-5-yl)-(oxan-4-yl)sulfamoyl]urea
CID 155459327
CID 155225191
CID 155225191
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
CID 155225109
CID 175825416
CID 175825416
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(2S,4R)-2-methyloxan-4-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155459315
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfamoyl]urea
CID 147043030
1-[(3,3-dimethyloxan-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155225206
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-[1-(oxetan-3-yl)pyrazol-4-yl]sulfamoyl]urea
CID 155225134
sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[(2-methyltetrazol-5-yl)-(oxan-4-yl)sulfamoyl]azanide
CID 158292127
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278

Frequently Asked Questions

What is the IUPAC name of CID 155225246?
The IUPAC name of CID 155225246 (CID 155225246) is not available.
What is the SMILES notation for CID 155225246?
The canonical SMILES for CID 155225246 is Cn1cnc(N(C2CCOCC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.[Na].
What is the InChIKey of CID 155225246?
The InChIKey is SVSSBLRHPQVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4S.Na/c1-26-13-22-20(24-26)27(16-8-10-31-11-9-16)32(29,30)25-21(28)23-19-17-6-2-4-14(17)12-15-5-3-7-18(15)19;/h12-13,16H,2-11H2,1H3,(H2,23,25,28);.
What are the key properties of CID 155225246?
CID 155225246 has a molecular weight of 483.55 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155225246 is sourced from PubChem (CID 155225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).