CID 175724043

C19H27KN3O4S — CID 175724043

IUPAC—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CN(CCCO)C1.[K]
InChIInChI=1S/C19H27N3O4S.K/c23-9-3-8-22-11-15(12-22)27(25,26)21-19(24)20-18-16-6-1-4-13(16)10-14-5-2-7-17(14)18;/h10,15,23H,1-9,11-12H2,(H2,20,21,24);
InChIKeyRNYZXXIQTZASTC-UHFFFAOYSA-N
MW432.61 g/mol
LogP0.80
Rot. Bonds6

About CID 175724043

CID 175724043 (PubChem CID 175724043) has the molecular formula C19H27KN3O4S and a molecular weight of 432.61 g/mol.

Molecular Properties

Compound NameCID 175724043
PubChem CID175724043
Molecular FormulaC19H27KN3O4S
Molecular Weight432.61 g/mol
Exact Mass432.14
IUPAC Name—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CN(CCCO)C1.[K]
InChIInChI=1S/C19H27N3O4S.K/c23-9-3-8-22-11-15(12-22)27(25,26)21-19(24)20-18-16-6-1-4-13(16)10-14-5-2-7-17(14)18;/h10,15,23H,1-9,11-12H2,(H2,20,21,24);
InChIKeyRNYZXXIQTZASTC-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185
CID 175724048
CID 175724048
1-[1-(2-fluoroethyl)piperidin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402505
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[1-(3-hydroxypropyl)-2-methyl-3H-pyrazol-3-yl]sulfonyl]urea
CID 142587949
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(4-hydroxybutyl)azetidin-3-yl]sulfonylazanide
CID 155658635
1-(1-cyclohexylazetidin-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403138
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402914
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(pyridin-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402534
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea
CID 146394304
CID 175724097
CID 175724097
1-[1-(cyanomethyl)piperidin-4-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137403219
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea
CID 155120766

Frequently Asked Questions

What is the IUPAC name of CID 175724043?
The IUPAC name of CID 175724043 (CID 175724043) is not available.
What is the SMILES notation for CID 175724043?
The canonical SMILES for CID 175724043 is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)C1CN(CCCO)C1.[K].
What is the InChIKey of CID 175724043?
The InChIKey is RNYZXXIQTZASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S.K/c23-9-3-8-22-11-15(12-22)27(25,26)21-19(24)20-18-16-6-1-4-13(16)10-14-5-2-7-17(14)18;/h10,15,23H,1-9,11-12H2,(H2,20,21,24);.
What are the key properties of CID 175724043?
CID 175724043 has a molecular weight of 432.61 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175724043 is sourced from PubChem (CID 175724043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).