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

C18H16N2O3S — CID 137227564

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18-11-10-15-8-4-5-9-16(15)17(18)12-19-20-24(22,23)13-14-6-2-1-3-7-14/h1-12,20-21H,13H2/b19-12+
InChIKeyLPNCCARRTTVROX-XDHOZWIPSA-N
MW340.40 g/mol
LogP3.00
Rot. Bonds5

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

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide (PubChem CID 137227564) 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]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide
PubChem CID137227564
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3S/c21-18-11-10-15-8-4-5-9-16(15)17(18)12-19-20-24(22,23)13-14-6-2-1-3-7-14/h1-12,20-21H,13H2/b19-12+
InChIKeyLPNCCARRTTVROX-XDHOZWIPSA-N
XLogP3.00
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.00
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]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide (CID 137227564) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide?
The InChIKey is LPNCCARRTTVROX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18-11-10-15-8-4-5-9-16(15)17(18)12-19-20-24(22,23)13-14-6-2-1-3-7-14/h1-12,20-21H,13H2/b19-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-phenylmethanesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.00, 5 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 137227564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).