N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide

C18H16N2O4S — CID 135647660

IUPACN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1cc(O)ccc1O
InChIInChI=1S/C18H16N2O4S/c1-12(17-11-15(21)7-9-18(17)22)19-20-25(23,24)16-8-6-13-4-2-3-5-14(13)10-16/h2-11,20-22H,1H3/b19-12-
InChIKeyZMBCRDIFSBKGKR-UNOMPAQXSA-N
MW356.40 g/mol
LogP2.95
Rot. Bonds4

About N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide

N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide (PubChem CID 135647660) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
PubChem CID135647660
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1cc(O)ccc1O
InChIInChI=1S/C18H16N2O4S/c1-12(17-11-15(21)7-9-18(17)22)19-20-25(23,24)16-8-6-13-4-2-3-5-14(13)10-16/h2-11,20-22H,1H3/b19-12-
InChIKeyZMBCRDIFSBKGKR-UNOMPAQXSA-N
XLogP2.95
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679431
4-amino-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135431297
4-bromo-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzenesulfonamide
CID 135679456
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-ethylbenzenesulfonamide
CID 135647665
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 5032601
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
(3Z)-N-(4-chlorophenyl)-3-(naphthalen-2-ylsulfonylhydrazinylidene)butanamide
CID 6033655
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
N-(5-ethylsulfonyl-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 2439926

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide?
The IUPAC name of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide (CID 135647660) is N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide is C/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide?
The InChIKey is ZMBCRDIFSBKGKR-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-12(17-11-15(21)7-9-18(17)22)19-20-25(23,24)16-8-6-13-4-2-3-5-14(13)10-16/h2-11,20-22H,1H3/b19-12-.
What are the key properties of N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide?
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]naphthalene-2-sulfonamide is sourced from PubChem (CID 135647660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).