5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide

C25H23N3O3S — CID 155514937

IUPAC5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N/N=C(\c3ccccc3)c3ccc(O)cc3)cccc12
InChIInChI=1S/C25H23N3O3S/c1-28(2)23-12-6-11-22-21(23)10-7-13-24(22)32(30,31)27-26-25(18-8-4-3-5-9-18)19-14-16-20(29)17-15-19/h3-17,27,29H,1-2H3/b26-25+
InChIKeyDSULXLHKQMCWGV-OCEACIFDSA-N
MW445.54 g/mol
LogP4.34
Rot. Bonds6

About 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide (PubChem CID 155514937) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide
PubChem CID155514937
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N/N=C(\c3ccccc3)c3ccc(O)cc3)cccc12
InChIInChI=1S/C25H23N3O3S/c1-28(2)23-12-6-11-22-21(23)10-7-13-24(22)32(30,31)27-26-25(18-8-4-3-5-9-18)19-14-16-20(29)17-15-19/h3-17,27,29H,1-2H3/b26-25+
InChIKeyDSULXLHKQMCWGV-OCEACIFDSA-N
XLogP4.34
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

6-(Dimethylamino)-3-(4'-hydroxyphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7d)
CID 126842702
5-(dimethylamino)-N-[3-[2-hydroxy-5-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl]propyl]naphthalene-1-sulfonamide
CID 13735141
N-[7-[2,3-bis(4-hydroxyphenyl)pentylsulfanyl]heptyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 13735210
Sodium [4-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-hydroxyethyl]phenyl] sulfate
CID 70696755
1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester
CID 598567
Mono-dansyl tyramine
CID 14930891
N-dansyldopamine
CID 14513308
Dansylaminophenylboric acid
CID 129819947
(7-Hydroxy-6-methylnaphthalen-1-yl) 5-(dimethylamino)naphthalene-1-sulfonate
CID 123341372
5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
CID 136756131
5-(dimethylamino)-N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]naphthalene-1-sulfonamide
CID 139158760
5-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)naphthalene-1-sulfonamide
CID 3567584

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide (CID 155514937) is 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)N/N=C(\c3ccccc3)c3ccc(O)cc3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide?
The InChIKey is DSULXLHKQMCWGV-OCEACIFDSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-28(2)23-12-6-11-22-21(23)10-7-13-24(22)32(30,31)27-26-25(18-8-4-3-5-9-18)19-14-16-20(29)17-15-19/h3-17,27,29H,1-2H3/b26-25+.
What are the key properties of 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide has a molecular weight of 445.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]naphthalene-1-sulfonamide is sourced from PubChem (CID 155514937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).