N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide

C19H18N2O3S — CID 137151299

IUPACN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)S(C)(=O)=O
InChIInChI=1S/C19H18N2O3S/c1-21(25(2,23)24)16-8-5-7-15(12-16)20-13-18-17-9-4-3-6-14(17)10-11-19(18)22/h3-13,22H,1-2H3/b20-13+
InChIKeyCGOUJTPIWPLFPY-DEDYPNTBSA-N
MW354.43 g/mol
LogP3.69
Rot. Bonds4

About N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide

N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide (PubChem CID 137151299) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
PubChem CID137151299
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)S(C)(=O)=O
InChIInChI=1S/C19H18N2O3S/c1-21(25(2,23)24)16-8-5-7-15(12-16)20-13-18-17-9-4-3-6-14(17)10-11-19(18)22/h3-13,22H,1-2H3/b20-13+
InChIKeyCGOUJTPIWPLFPY-DEDYPNTBSA-N
XLogP3.69
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(E)-[methyl(phenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135458877
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861567
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 135595779
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N,N,4,5-tetramethylbenzenesulfonamide
CID 135829101
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide (CID 137151299) is N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide is CN(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is CGOUJTPIWPLFPY-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-21(25(2,23)24)16-8-5-7-15(12-16)20-13-18-17-9-4-3-6-14(17)10-11-19(18)22/h3-13,22H,1-2H3/b20-13+.
What are the key properties of N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide?
N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 137151299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).