N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide

C19H17N3O4S — CID 135419866

IUPACN-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)22-20-12-18-17-5-3-2-4-14(17)6-11-19(18)24/h2-12,22,24H,1H3,(H,21,23)/b20-12+
InChIKeyVORXYMOQTYOBOX-UDWIEESQSA-N
MW383.43 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide (PubChem CID 135419866) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide
PubChem CID135419866
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)22-20-12-18-17-5-3-2-4-14(17)6-11-19(18)24/h2-12,22,24H,1H3,(H,21,23)/b20-12+
InChIKeyVORXYMOQTYOBOX-UDWIEESQSA-N
XLogP2.82
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide (CID 135419866) is N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide?
The InChIKey is VORXYMOQTYOBOX-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13(23)21-15-7-9-16(10-8-15)27(25,26)22-20-12-18-17-5-3-2-4-14(17)6-11-19(18)24/h2-12,22,24H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 135419866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).