3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide

C24H21N5O7S2 — CID 25048263

IUPAC3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
SMILESO=C1C(N2CCOCC2)=C(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C24H21N5O7S2/c30-21-18-4-1-2-5-19(18)22(31)23(20(21)29-12-14-36-15-13-29)38(34,35)27-16-6-8-17(9-7-16)37(32,33)28-24-25-10-3-11-26-24/h1-11,27H,12-15H2,(H,25,26,28)
InChIKeyBLHMNIDJYVTXTG-UHFFFAOYSA-N
MW555.59 g/mol
LogP1.64
Rot. Bonds7

About 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide

3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 25048263) has the molecular formula C24H21N5O7S2 and a molecular weight of 555.59 g/mol. Its IUPAC name is 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
PubChem CID25048263
Molecular FormulaC24H21N5O7S2
Molecular Weight555.59 g/mol
Exact Mass555.09
IUPAC Name3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
SMILESO=C1C(N2CCOCC2)=C(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc21
InChIInChI=1S/C24H21N5O7S2/c30-21-18-4-1-2-5-19(18)22(31)23(20(21)29-12-14-36-15-13-29)38(34,35)27-16-6-8-17(9-7-16)37(32,33)28-24-25-10-3-11-26-24/h1-11,27H,12-15H2,(H,25,26,28)
InChIKeyBLHMNIDJYVTXTG-UHFFFAOYSA-N
XLogP1.64
TPSA164.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.59
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047036
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25042699
N-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25035907
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
3-(azepan-1-yl)-N-(4-nitrophenyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25043834
1,4-dioxo-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25036232
N-(3,4-dichlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25042727
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047016
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
N-(3,4-dimethylphenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25037243
4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
CID 58398231

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide (CID 25048263) is 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide is O=C1C(N2CCOCC2)=C(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)c2ccccc21.
What is the InChIKey of 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is BLHMNIDJYVTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O7S2/c30-21-18-4-1-2-5-19(18)22(31)23(20(21)29-12-14-36-15-13-29)38(34,35)27-16-6-8-17(9-7-16)37(32,33)28-24-25-10-3-11-26-24/h1-11,27H,12-15H2,(H,25,26,28).
What are the key properties of 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide?
3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 555.59 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 25048263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).