CID 89260405

C19H19BN4O4S — CID 89260405

IUPAC—
SMILES[B]c1cc2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2cc1OC
InChIInChI=1S/C19H19BN4O4S/c1-27-18-11-17-13(10-16(18)20)12-21-19(23-17)22-14-2-4-15(5-3-14)29(25,26)24-6-8-28-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,21,22,23)
InChIKeyLYEDMIPGXLJQDX-UHFFFAOYSA-N
MW410.26 g/mol
LogP1.20
Rot. Bonds5

About CID 89260405

CID 89260405 (PubChem CID 89260405) has the molecular formula C19H19BN4O4S and a molecular weight of 410.26 g/mol.

Molecular Properties

Compound NameCID 89260405
PubChem CID89260405
Molecular FormulaC19H19BN4O4S
Molecular Weight410.26 g/mol
Exact Mass410.12
IUPAC Name—
SMILES[B]c1cc2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2cc1OC
InChIInChI=1S/C19H19BN4O4S/c1-27-18-11-17-13(10-16(18)20)12-21-19(23-17)22-14-2-4-15(5-3-14)29(25,26)24-6-8-28-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,21,22,23)
InChIKeyLYEDMIPGXLJQDX-UHFFFAOYSA-N
XLogP1.20
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(3-morpholin-4-ylsulfonylphenyl)quinazolin-2-amine
CID 163290810
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 43069792
4-amino-3-(2,6-dichlorophenyl)-7-(4-morpholin-4-ylsulfonylanilino)pyrimido[4,5-d]pyrimidin-2-one
CID 58455491
4-(1,3-dihydroisoindol-2-yl)-6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 44526921
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
7-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 171349227
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263

Frequently Asked Questions

What is the IUPAC name of CID 89260405?
The IUPAC name of CID 89260405 (CID 89260405) is not available.
What is the SMILES notation for CID 89260405?
The canonical SMILES for CID 89260405 is [B]c1cc2cnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2cc1OC.
What is the InChIKey of CID 89260405?
The InChIKey is LYEDMIPGXLJQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O4S/c1-27-18-11-17-13(10-16(18)20)12-21-19(23-17)22-14-2-4-15(5-3-14)29(25,26)24-6-8-28-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,21,22,23).
What are the key properties of CID 89260405?
CID 89260405 has a molecular weight of 410.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89260405 is sourced from PubChem (CID 89260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).