5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide

C25H23N3O3S — CID 136756131

IUPAC5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12
InChIInChI=1S/C25H23N3O3S/c1-28(2)23-14-7-11-20-19(23)10-8-16-25(20)32(30,31)27-22-13-5-4-12-21(22)26-17-18-9-3-6-15-24(18)29/h3-17,27,29H,1-2H3/b26-17-
InChIKeyZTXFWJDLXCMCPP-ONUIUJJFSA-N
MW445.54 g/mol
LogP5.16
Rot. Bonds6

About 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide (PubChem CID 136756131) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
PubChem CID136756131
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12
InChIInChI=1S/C25H23N3O3S/c1-28(2)23-14-7-11-20-19(23)10-8-16-25(20)32(30,31)27-22-13-5-4-12-21(22)26-17-18-9-3-6-15-24(18)29/h3-17,27,29H,1-2H3/b26-17-
InChIKeyZTXFWJDLXCMCPP-ONUIUJJFSA-N
XLogP5.16
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide (CID 136756131) is 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide?
The InChIKey is ZTXFWJDLXCMCPP-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-28(2)23-14-7-11-20-19(23)10-8-16-25(20)32(30,31)27-22-13-5-4-12-21(22)26-17-18-9-3-6-15-24(18)29/h3-17,27,29H,1-2H3/b26-17-.
What are the key properties of 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide has a molecular weight of 445.54 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 136756131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).