4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide

C15H14ClN3O5S — CID 135582522

IUPAC4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1O
InChIInChI=1S/C15H14ClN3O5S/c1-24-13-6-9(2-5-12(13)20)8-18-19-15(21)10-3-4-11(16)14(7-10)25(17,22)23/h2-8,20H,1H3,(H,19,21)(H2,17,22,23)/b18-8+
InChIKeyXNRDGORSBOVLNB-QGMBQPNBSA-N
MW383.81 g/mol
LogP1.47
Rot. Bonds5

About 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide

4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide (PubChem CID 135582522) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
PubChem CID135582522
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1O
InChIInChI=1S/C15H14ClN3O5S/c1-24-13-6-9(2-5-12(13)20)8-18-19-15(21)10-3-4-11(16)14(7-10)25(17,22)23/h2-8,20H,1H3,(H,19,21)(H2,17,22,23)/b18-8+
InChIKeyXNRDGORSBOVLNB-QGMBQPNBSA-N
XLogP1.47
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
CID 2558023
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
4-(aminomethyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135899399
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
4-chloro-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5061249
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide (CID 135582522) is 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide is COc1cc(/C=N/NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1O.
What is the InChIKey of 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide?
The InChIKey is XNRDGORSBOVLNB-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-24-13-6-9(2-5-12(13)20)8-18-19-15(21)10-3-4-11(16)14(7-10)25(17,22)23/h2-8,20H,1H3,(H,19,21)(H2,17,22,23)/b18-8+.
What are the key properties of 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide?
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide has a molecular weight of 383.81 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide is sourced from PubChem (CID 135582522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).