4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide

C15H22ClN3O3S — CID 10247913

IUPAC4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
SMILESCCCCCCC/C=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H22ClN3O3S/c1-2-3-4-5-6-7-10-18-19-15(20)12-8-9-13(16)14(11-12)23(17,21)22/h8-11H,2-7H2,1H3,(H,19,20)(H2,17,21,22)/b18-10+
InChIKeyLCDVDOLIQVEFSP-VCHYOVAHSA-N
MW359.88 g/mol
LogP3.06
Rot. Bonds9

About 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide

4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide (PubChem CID 10247913) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
PubChem CID10247913
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
SMILESCCCCCCC/C=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H22ClN3O3S/c1-2-3-4-5-6-7-10-18-19-15(20)12-8-9-13(16)14(11-12)23(17,21)22/h8-11H,2-7H2,1H3,(H,19,20)(H2,17,21,22)/b18-10+
InChIKeyLCDVDOLIQVEFSP-VCHYOVAHSA-N
XLogP3.06
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-chloro-N-(nonylideneamino)benzamide
CID 3638264
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
CID 9395667
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
N-(dodecylideneamino)-3,5-dinitrobenzamide
CID 3258147
N-[[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methylideneamino]-4-chloro-3-sulfamoylbenzamide
CID 2558023
2-chloro-5-[[3-(4-ethylphenyl)propanoylamino]carbamoyl]benzenesulfonamide
CID 9428545
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568897
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide (CID 10247913) is 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide is CCCCCCC/C=N/NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide?
The InChIKey is LCDVDOLIQVEFSP-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-2-3-4-5-6-7-10-18-19-15(20)12-8-9-13(16)14(11-12)23(17,21)22/h8-11H,2-7H2,1H3,(H,19,20)(H2,17,21,22)/b18-10+.
What are the key properties of 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide?
4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide has a molecular weight of 359.88 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide is sourced from PubChem (CID 10247913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).