7-anilino-5,8-dioxonaphthalene-1-sulfonamide

C16H12N2O4S — CID 71726834

IUPAC7-anilino-5,8-dioxonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C16H12N2O4S/c17-23(21,22)14-8-4-7-11-13(19)9-12(16(20)15(11)14)18-10-5-2-1-3-6-10/h1-9,18H,(H2,17,21,22)
InChIKeySVZZSTPSCYSADN-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.71
Rot. Bonds3

About 7-anilino-5,8-dioxonaphthalene-1-sulfonamide

7-anilino-5,8-dioxonaphthalene-1-sulfonamide (PubChem CID 71726834) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 7-anilino-5,8-dioxonaphthalene-1-sulfonamide.

Molecular Properties

Compound Name7-anilino-5,8-dioxonaphthalene-1-sulfonamide
PubChem CID71726834
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name7-anilino-5,8-dioxonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C(Nc1ccccc1)=CC2=O
InChIInChI=1S/C16H12N2O4S/c17-23(21,22)14-8-4-7-11-13(19)9-12(16(20)15(11)14)18-10-5-2-1-3-6-10/h1-9,18H,(H2,17,21,22)
InChIKeySVZZSTPSCYSADN-UHFFFAOYSA-N
XLogP1.71
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylamino-1,4-naphthoquinone
CID 81124
4-[(1,4-Dioxo-2-naphthalenyl)amino]benzenesulfonamide
CID 12387471
4-[(3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino]benzenesulfonamide
CID 367783
N-[4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 3249350
N-(3-anilino-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide
CID 5019739
N-[8-amino-3-(3,5-dimethylanilino)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
CID 90656660
5,8-Dioxo-6-(2-piperazin-1-ylanilino)naphthalene-1-sulfonamide
CID 118318714
(4-anilino-1,1-dioxo-2H-1$l^{6},2-benzothiazin-3-yl)-phenylmethanone
CID 1042999
{2-methyl-4-[(2-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 1043060
{2-methyl-4-[(4-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 1326081
N-[3-[4-(4-fluorophenyl)-1-piperazinyl]-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
CID 3481469
{2-ethyl-4-[(2-methylphenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
CID 12005482

Frequently Asked Questions

What is the IUPAC name of 7-anilino-5,8-dioxonaphthalene-1-sulfonamide?
The IUPAC name of 7-anilino-5,8-dioxonaphthalene-1-sulfonamide (CID 71726834) is 7-anilino-5,8-dioxonaphthalene-1-sulfonamide.
What is the SMILES notation for 7-anilino-5,8-dioxonaphthalene-1-sulfonamide?
The canonical SMILES for 7-anilino-5,8-dioxonaphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)C(Nc1ccccc1)=CC2=O.
What is the InChIKey of 7-anilino-5,8-dioxonaphthalene-1-sulfonamide?
The InChIKey is SVZZSTPSCYSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c17-23(21,22)14-8-4-7-11-13(19)9-12(16(20)15(11)14)18-10-5-2-1-3-6-10/h1-9,18H,(H2,17,21,22).
What are the key properties of 7-anilino-5,8-dioxonaphthalene-1-sulfonamide?
7-anilino-5,8-dioxonaphthalene-1-sulfonamide has a molecular weight of 328.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-5,8-dioxonaphthalene-1-sulfonamide is sourced from PubChem (CID 71726834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).