2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide

C23H30ClN3O3S — CID 3536506

IUPAC2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
SMILESCCCCCCCC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30ClN3O3S/c1-3-4-5-6-8-12-19(2)25-26-23(28)18-27(21-14-11-13-20(24)17-21)31(29,30)22-15-9-7-10-16-22/h7,9-11,13-17H,3-6,8,12,18H2,1-2H3,(H,26,28)
InChIKeyQWCRGNFYVUFDFO-UHFFFAOYSA-N
MW464.03 g/mol
LogP5.39
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide (PubChem CID 3536506) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
PubChem CID3536506
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
SMILESCCCCCCCC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30ClN3O3S/c1-3-4-5-6-8-12-19(2)25-26-23(28)18-27(21-14-11-13-20(24)17-21)31(29,30)22-15-9-7-10-16-22/h7,9-11,13-17H,3-6,8,12,18H2,1-2H3,(H,26,28)
InChIKeyQWCRGNFYVUFDFO-UHFFFAOYSA-N
XLogP5.39
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 55.39
H-Bond Donors ≤ 51
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

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 40537954
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43908428

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide (CID 3536506) is 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide is CCCCCCCC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide?
The InChIKey is QWCRGNFYVUFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-3-4-5-6-8-12-19(2)25-26-23(28)18-27(21-14-11-13-20(24)17-21)31(29,30)22-15-9-7-10-16-22/h7,9-11,13-17H,3-6,8,12,18H2,1-2H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide?
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide has a molecular weight of 464.03 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide is sourced from PubChem (CID 3536506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).