N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide

C16H13NO4S — CID 4112659

IUPACN,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-17(2)22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3
InChIKeyWGJYKDZEWRMWTB-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.71
Rot. Bonds2

About N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide

N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide (PubChem CID 4112659) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide
PubChem CID4112659
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-17(2)22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3
InChIKeyWGJYKDZEWRMWTB-UHFFFAOYSA-N
XLogP1.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide?
The IUPAC name of N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide (CID 4112659) is N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide is CN(C)S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide?
The InChIKey is WGJYKDZEWRMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-17(2)22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide?
N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide is sourced from PubChem (CID 4112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).