N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide

C18H16ClN3O3S — CID 27658436

IUPACN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H16ClN3O3S/c1-22-12-16(15-4-2-3-5-17(15)22)18(23)20-21-26(24,25)11-10-13-6-8-14(19)9-7-13/h2-12,21H,1H3,(H,20,23)/b11-10+
InChIKeyUMLPZGWTLNLWFM-ZHACJKMWSA-N
MW389.86 g/mol
LogP3.07
Rot. Bonds5

About N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide

N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide (PubChem CID 27658436) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
PubChem CID27658436
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNS(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H16ClN3O3S/c1-22-12-16(15-4-2-3-5-17(15)22)18(23)20-21-26(24,25)11-10-13-6-8-14(19)9-7-13/h2-12,21H,1H3,(H,20,23)/b11-10+
InChIKeyUMLPZGWTLNLWFM-ZHACJKMWSA-N
XLogP3.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide (CID 27658436) is N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNS(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide?
The InChIKey is UMLPZGWTLNLWFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-22-12-16(15-4-2-3-5-17(15)22)18(23)20-21-26(24,25)11-10-13-6-8-14(19)9-7-13/h2-12,21H,1H3,(H,20,23)/b11-10+.
What are the key properties of N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide?
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide has a molecular weight of 389.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 27658436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).