CID 175859595

C19H19N5NaO3S2 — CID 175859595

IUPAC—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(-c2nccs2)n1.[Na]
InChIInChI=1S/C19H19N5O3S2.Na/c25-18(21-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17)23-29(26,27)16-7-9-24(22-16)19-20-8-10-28-19;/h7-11H,1-6H2,(H2,21,23,25);
InChIKeyVKVPWXPWMCWEDX-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.44
Rot. Bonds4

About CID 175859595

CID 175859595 (PubChem CID 175859595) has the molecular formula C19H19N5NaO3S2 and a molecular weight of 452.52 g/mol.

Molecular Properties

Compound NameCID 175859595
PubChem CID175859595
Molecular FormulaC19H19N5NaO3S2
Molecular Weight452.52 g/mol
Exact Mass452.08
IUPAC Name—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(-c2nccs2)n1.[Na]
InChIInChI=1S/C19H19N5O3S2.Na/c25-18(21-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17)23-29(26,27)16-7-9-24(22-16)19-20-8-10-28-19;/h7-11H,1-6H2,(H2,21,23,25);
InChIKeyVKVPWXPWMCWEDX-UHFFFAOYSA-N
XLogP2.44
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.44
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-(3-hydroxycyclobutyl)pyrazol-3-yl]sulfonylurea
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1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
1-(1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,7-tetrahydro-s-indacen-4-yl)urea
CID 150914849
6-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyridazine-3-carboxamide
CID 137403461
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
ethyl 4-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyrazol-1-yl]methyl]benzoate
CID 177065731
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2-hydroxy-5,6-dihydrooxaborinin-5-yl)methyl]pyrazol-3-yl]sulfonylurea
CID 170601005
1-(1-acetylpyrazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142478790
1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403949
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-methoxypyrazin-2-yl)sulfonylurea
CID 155076516

Frequently Asked Questions

What is the IUPAC name of CID 175859595?
The IUPAC name of CID 175859595 (CID 175859595) is not available.
What is the SMILES notation for CID 175859595?
The canonical SMILES for CID 175859595 is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(-c2nccs2)n1.[Na].
What is the InChIKey of CID 175859595?
The InChIKey is VKVPWXPWMCWEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2.Na/c25-18(21-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17)23-29(26,27)16-7-9-24(22-16)19-20-8-10-28-19;/h7-11H,1-6H2,(H2,21,23,25);.
What are the key properties of CID 175859595?
CID 175859595 has a molecular weight of 452.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175859595 is sourced from PubChem (CID 175859595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).