2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H17N3O4S — CID 136678607

IUPAC2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O4S/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-20-22-19(24)13-21-27(25,26)15-7-2-1-3-8-15/h1-12,21,23H,13H2,(H,22,24)/b20-12-
InChIKeyINMDGAMBZDSFEL-NDENLUEZSA-N
MW383.43 g/mol
LogP1.97
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 136678607) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID136678607
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O4S/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-20-22-19(24)13-21-27(25,26)15-7-2-1-3-8-15/h1-12,21,23H,13H2,(H,22,24)/b20-12-
InChIKeyINMDGAMBZDSFEL-NDENLUEZSA-N
XLogP1.97
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.97
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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Related Compounds

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
[1-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6157269
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136663445
2-(4-fluoroanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135745098
2-(benzenesulfonamido)-N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4599921
2-(benzenesulfonamido)-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6160921

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 136678607) is 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is INMDGAMBZDSFEL-NDENLUEZSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-18-11-10-14-6-4-5-9-16(14)17(18)12-20-22-19(24)13-21-27(25,26)15-7-2-1-3-8-15/h1-12,21,23H,13H2,(H,22,24)/b20-12-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 383.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 136678607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).