4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide

C15H13ClFN3O4S — CID 135582534

IUPAC4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc(F)ccc1O
InChIInChI=1S/C15H13ClFN3O4S/c1-8(11-7-10(17)3-5-13(11)21)19-20-15(22)9-2-4-12(16)14(6-9)25(18,23)24/h2-7,21H,1H3,(H,20,22)(H2,18,23,24)/b19-8+
InChIKeyCTOHMDUEWVJDCX-UFWORHAWSA-N
MW385.80 g/mol
LogP1.99
Rot. Bonds4

About 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide

4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide (PubChem CID 135582534) has the molecular formula C15H13ClFN3O4S and a molecular weight of 385.80 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide
PubChem CID135582534
Molecular FormulaC15H13ClFN3O4S
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC Name4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide
SMILESC/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc(F)ccc1O
InChIInChI=1S/C15H13ClFN3O4S/c1-8(11-7-10(17)3-5-13(11)21)19-20-15(22)9-2-4-12(16)14(6-9)25(18,23)24/h2-7,21H,1H3,(H,20,22)(H2,18,23,24)/b19-8+
InChIKeyCTOHMDUEWVJDCX-UFWORHAWSA-N
XLogP1.99
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 51.99
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

4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[1-(2-chlorophenyl)ethylideneamino]-3-fluorobenzamide
CID 4181605
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135784630
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178
4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
CID 10247913
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide (CID 135582534) is 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide is C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cc(F)ccc1O.
What is the InChIKey of 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide?
The InChIKey is CTOHMDUEWVJDCX-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13ClFN3O4S/c1-8(11-7-10(17)3-5-13(11)21)19-20-15(22)9-2-4-12(16)14(6-9)25(18,23)24/h2-7,21H,1H3,(H,20,22)(H2,18,23,24)/b19-8+.
What are the key properties of 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide?
4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide has a molecular weight of 385.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide is sourced from PubChem (CID 135582534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).