N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide

C18H16N2O3S — CID 135545713

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-6-9-15(10-7-13)24(22,23)20-19-12-17-16-5-3-2-4-14(16)8-11-18(17)21/h2-12,20-21H,1H3/b19-12+
InChIKeyRGNFUPWYQNYCNG-XDHOZWIPSA-N
MW340.40 g/mol
LogP3.17
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135545713) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135545713
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-6-9-15(10-7-13)24(22,23)20-19-12-17-16-5-3-2-4-14(16)8-11-18(17)21/h2-12,20-21H,1H3/b19-12+
InChIKeyRGNFUPWYQNYCNG-XDHOZWIPSA-N
XLogP3.17
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 135545713) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is RGNFUPWYQNYCNG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13-6-9-15(10-7-13)24(22,23)20-19-12-17-16-5-3-2-4-14(16)8-11-18(17)21/h2-12,20-21H,1H3/b19-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135545713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).