2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C27H24ClN3O4S — CID 137107508

IUPAC2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-7-12-22(13-8-18)36(34,35)31(25-15-21(28)11-9-19(25)2)17-27(33)30-29-16-24-23-6-4-3-5-20(23)10-14-26(24)32/h3-16,32H,17H2,1-2H3,(H,30,33)/b29-16-
InChIKeyVOBMMFUXTKOEQQ-MWLSYYOVSA-N
MW522.03 g/mol
LogP5.16
Rot. Bonds7

About 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 137107508) has the molecular formula C27H24ClN3O4S and a molecular weight of 522.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID137107508
Molecular FormulaC27H24ClN3O4S
Molecular Weight522.03 g/mol
Exact Mass521.12
IUPAC Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-7-12-22(13-8-18)36(34,35)31(25-15-21(28)11-9-19(25)2)17-27(33)30-29-16-24-23-6-4-3-5-20(23)10-14-26(24)32/h3-16,32H,17H2,1-2H3,(H,30,33)/b29-16-
InChIKeyVOBMMFUXTKOEQQ-MWLSYYOVSA-N
XLogP5.16
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.03
LogP ≤ 55.16
H-Bond Donors ≤ 52
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

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 137107827
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135916009
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136719029
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98061924
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137101847
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107675
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[(E)-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879462
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 137168132
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 30172406

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 137107508) is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2c(O)ccc3ccccc23)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is VOBMMFUXTKOEQQ-MWLSYYOVSA-N. The full InChI is InChI=1S/C27H24ClN3O4S/c1-18-7-12-22(13-8-18)36(34,35)31(25-15-21(28)11-9-19(25)2)17-27(33)30-29-16-24-23-6-4-3-5-20(23)10-14-26(24)32/h3-16,32H,17H2,1-2H3,(H,30,33)/b29-16-.
What are the key properties of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 522.03 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 137107508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).