2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide

C24H23Cl2N3O4S — CID 126031965

IUPAC2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-2-14-33-22-10-6-18(7-11-22)16-27-28-24(30)17-29(21-5-3-4-20(26)15-21)34(31,32)23-12-8-19(25)9-13-23/h3-13,15-16H,2,14,17H2,1H3,(H,28,30)/b27-16-
InChIKeyQMZNVUMEYZSQTC-YUMHPJSZSA-N
MW520.44 g/mol
LogP5.13
Rot. Bonds10

About 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 126031965) has the molecular formula C24H23Cl2N3O4S and a molecular weight of 520.44 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
PubChem CID126031965
Molecular FormulaC24H23Cl2N3O4S
Molecular Weight520.44 g/mol
Exact Mass519.08
IUPAC Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-2-14-33-22-10-6-18(7-11-22)16-27-28-24(30)17-29(21-5-3-4-20(26)15-21)34(31,32)23-12-8-19(25)9-13-23/h3-13,15-16H,2,14,17H2,1H3,(H,28,30)/b27-16-
InChIKeyQMZNVUMEYZSQTC-YUMHPJSZSA-N
XLogP5.13
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 55.13
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

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126153493
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 126140562
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126131461
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126143655
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 124542800
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126033864
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126030266
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125145
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(4-octoxyphenyl)methylideneamino]acetamide
CID 21212109
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92661778
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 43880953

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide (CID 126031965) is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is QMZNVUMEYZSQTC-YUMHPJSZSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4S/c1-2-14-33-22-10-6-18(7-11-22)16-27-28-24(30)17-29(21-5-3-4-20(26)15-21)34(31,32)23-12-8-19(25)9-13-23/h3-13,15-16H,2,14,17H2,1H3,(H,28,30)/b27-16-.
What are the key properties of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 520.44 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126031965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).