N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide

C26H23N3O4S — CID 3820987

IUPACN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide
SMILESCN(C)c1cccc2c(S(=O)(=O)NNC(=O)C3c4ccccc4Oc4ccccc43)cccc12
InChIInChI=1S/C26H23N3O4S/c1-29(2)21-13-7-12-18-17(21)11-8-16-24(18)34(31,32)28-27-26(30)25-19-9-3-5-14-22(19)33-23-15-6-4-10-20(23)25/h3-16,25,28H,1-2H3,(H,27,30)
InChIKeyRFQRFGQTQWOYJW-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.15
Rot. Bonds5

About N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide

N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide (PubChem CID 3820987) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide
PubChem CID3820987
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide
SMILESCN(C)c1cccc2c(S(=O)(=O)NNC(=O)C3c4ccccc4Oc4ccccc43)cccc12
InChIInChI=1S/C26H23N3O4S/c1-29(2)21-13-7-12-18-17(21)11-8-16-24(18)34(31,32)28-27-26(30)25-19-9-3-5-14-22(19)33-23-15-6-4-10-20(23)25/h3-16,25,28H,1-2H3,(H,27,30)
InChIKeyRFQRFGQTQWOYJW-UHFFFAOYSA-N
XLogP4.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide?
The IUPAC name of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide (CID 3820987) is N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide.
What is the SMILES notation for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide?
The canonical SMILES for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide is CN(C)c1cccc2c(S(=O)(=O)NNC(=O)C3c4ccccc4Oc4ccccc43)cccc12.
What is the InChIKey of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide?
The InChIKey is RFQRFGQTQWOYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-29(2)21-13-7-12-18-17(21)11-8-16-24(18)34(31,32)28-27-26(30)25-19-9-3-5-14-22(19)33-23-15-6-4-10-20(23)25/h3-16,25,28H,1-2H3,(H,27,30).
What are the key properties of N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide?
N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide has a molecular weight of 473.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-9H-xanthene-9-carbohydrazide is sourced from PubChem (CID 3820987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).