N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide

C18H22N2O7S — CID 23852518

IUPACN,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
SMILESO=C1C(N2CCOCC2)=C(S(=O)(=O)N(CCO)CCO)C(=O)c2ccccc21
InChIInChI=1S/C18H22N2O7S/c21-9-5-20(6-10-22)28(25,26)18-15(19-7-11-27-12-8-19)16(23)13-3-1-2-4-14(13)17(18)24/h1-4,21-22H,5-12H2
InChIKeyZGOSCTORYLMABB-UHFFFAOYSA-N
MW410.45 g/mol
LogP-0.77
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide

N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide (PubChem CID 23852518) has the molecular formula C18H22N2O7S and a molecular weight of 410.45 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
PubChem CID23852518
Molecular FormulaC18H22N2O7S
Molecular Weight410.45 g/mol
Exact Mass410.11
IUPAC NameN,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
SMILESO=C1C(N2CCOCC2)=C(S(=O)(=O)N(CCO)CCO)C(=O)c2ccccc21
InChIInChI=1S/C18H22N2O7S/c21-9-5-20(6-10-22)28(25,26)18-15(19-7-11-27-12-8-19)16(23)13-3-1-2-4-14(13)17(18)24/h1-4,21-22H,5-12H2
InChIKeyZGOSCTORYLMABB-UHFFFAOYSA-N
XLogP-0.77
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide
CID 25047016
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
2-methoxy-3-morpholin-4-ylnaphthalene-1,4-dione
CID 781111
2-(ethylamino)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 14692055
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-(2-hydroxyethyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25035415
3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 25048263
2-methoxy-N-(2-methoxyethyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 11632476
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 2903171

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide (CID 23852518) is N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide is O=C1C(N2CCOCC2)=C(S(=O)(=O)N(CCO)CCO)C(=O)c2ccccc21.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
The InChIKey is ZGOSCTORYLMABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7S/c21-9-5-20(6-10-22)28(25,26)18-15(19-7-11-27-12-8-19)16(23)13-3-1-2-4-14(13)17(18)24/h1-4,21-22H,5-12H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide?
N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide has a molecular weight of 410.45 g/mol, XLogP of -0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-morpholin-4-yl-1,4-dioxonaphthalene-2-sulfonamide is sourced from PubChem (CID 23852518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).