N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide

C24H21ClN4O3S — CID 73346537

IUPACN-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H21ClN4O3S/c1-17-6-12-21(13-7-17)33(31,32)28-26-14-18-15-29(23-5-3-2-4-22(18)23)16-24(30)27-20-10-8-19(25)9-11-20/h2-15,28H,16H2,1H3,(H,27,30)/b26-14+
InChIKeyABPDDHUOGSTTQN-VULFUBBASA-N
MW480.98 g/mol
LogP4.55
Rot. Bonds7

About N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide (PubChem CID 73346537) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
PubChem CID73346537
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC NameN-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H21ClN4O3S/c1-17-6-12-21(13-7-17)33(31,32)28-26-14-18-15-29(23-5-3-2-4-22(18)23)16-24(30)27-20-10-8-19(25)9-11-20/h2-15,28H,16H2,1H3,(H,27,30)/b26-14+
InChIKeyABPDDHUOGSTTQN-VULFUBBASA-N
XLogP4.55
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.55
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide (CID 73346537) is N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide is Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
The InChIKey is ABPDDHUOGSTTQN-VULFUBBASA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-17-6-12-21(13-7-17)33(31,32)28-26-14-18-15-29(23-5-3-2-4-22(18)23)16-24(30)27-20-10-8-19(25)9-11-20/h2-15,28H,16H2,1H3,(H,27,30)/b26-14+.
What are the key properties of N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide has a molecular weight of 480.98 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 73346537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).