N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline

C18H19Cl2N3O3S — CID 174945820

IUPACN-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
SMILESCC(=NNc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c1-13(17-11-14(19)5-6-18(17)20)21-22-15-3-2-4-16(12-15)27(24,25)23-7-9-26-10-8-23/h2-6,11-12,22H,7-10H2,1H3
InChIKeyRUWXMSVDSNASRI-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.85
Rot. Bonds5

About N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline

N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline (PubChem CID 174945820) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
PubChem CID174945820
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC NameN-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
SMILESCC(=NNc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl2N3O3S/c1-13(17-11-14(19)5-6-18(17)20)21-22-15-3-2-4-16(12-15)27(24,25)23-7-9-26-10-8-23/h2-6,11-12,22H,7-10H2,1H3
InChIKeyRUWXMSVDSNASRI-UHFFFAOYSA-N
XLogP3.85
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
1-(2,4-dichlorophenyl)-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680377
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42966393
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline (CID 174945820) is N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline is CC(=NNc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline?
The InChIKey is RUWXMSVDSNASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c1-13(17-11-14(19)5-6-18(17)20)21-22-15-3-2-4-16(12-15)27(24,25)23-7-9-26-10-8-23/h2-6,11-12,22H,7-10H2,1H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline?
N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline has a molecular weight of 428.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 174945820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).