4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide

C19H18N2O3S — CID 3940132

IUPAC4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-24-19-12-7-14-5-3-4-6-17(14)18(19)13-21-15-8-10-16(11-9-15)25(20,22)23/h3-13H,2H2,1H3,(H2,20,22,23)/b21-13+
InChIKeyYPIMVQSDRFADDC-FYJGNVAPSA-N
MW354.43 g/mol
LogP3.64
Rot. Bonds5

About 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide

4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (PubChem CID 3940132) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
PubChem CID3940132
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H18N2O3S/c1-2-24-19-12-7-14-5-3-4-6-17(14)18(19)13-21-15-8-10-16(11-9-15)25(20,22)23/h3-13H,2H2,1H3,(H2,20,22,23)/b21-13+
InChIKeyYPIMVQSDRFADDC-FYJGNVAPSA-N
XLogP3.64
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.64
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-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
N-(4-bromophenyl)-1-(2-phenylmethoxynaphthalen-1-yl)methanimine
CID 4779325
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 7638517

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide (CID 3940132) is 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is CCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
The InChIKey is YPIMVQSDRFADDC-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-24-19-12-7-14-5-3-4-6-17(14)18(19)13-21-15-8-10-16(11-9-15)25(20,22)23/h3-13H,2H2,1H3,(H2,20,22,23)/b21-13+.
What are the key properties of 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide?
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3940132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).