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

C50H46N6O6S2 — CID 139158760

IUPAC5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12.CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12
InChIInChI=1S/2C25H23N3O3S/c2*1-28(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/h2*3-17,27,29H,1-2H3/b2*26-17-
InChIKeyWMAQNEDUNCOBJD-KWPSBDEFSA-N
MW891.09 g/mol
LogP10.33
Rot. Bonds12

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 139158760) has the molecular formula C50H46N6O6S2 and a molecular weight of 891.09 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 CID139158760
Molecular FormulaC50H46N6O6S2
Molecular Weight891.09 g/mol
Exact Mass890.29
IUPAC Name5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12.CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3/N=C\c3ccccc3O)cccc12
InChIInChI=1S/2C25H23N3O3S/c2*1-28(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/h2*3-17,27,29H,1-2H3/b2*26-17-
InChIKeyWMAQNEDUNCOBJD-KWPSBDEFSA-N
XLogP10.33
TPSA164.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 510.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 139158760) 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.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 WMAQNEDUNCOBJD-KWPSBDEFSA-N. The full InChI is InChI=1S/2C25H23N3O3S/c2*1-28(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/h2*3-17,27,29H,1-2H3/b2*26-17-.
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 891.09 g/mol, XLogP of 10.33, 12 rotatable bonds, 4 hydrogen bond donors, and 10 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 139158760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).