N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide

C17H15N3O3S — CID 26980112

IUPACN'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3S/c21-17(15-12-18-16-9-5-4-8-14(15)16)19-20-24(22,23)11-10-13-6-2-1-3-7-13/h1-12,18,20H,(H,19,21)/b11-10+
InChIKeyQKIRHKLLZLGNNA-ZHACJKMWSA-N
MW341.39 g/mol
LogP2.40
Rot. Bonds5

About N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide

N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide (PubChem CID 26980112) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
PubChem CID26980112
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)/C=C/c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3S/c21-17(15-12-18-16-9-5-4-8-14(15)16)19-20-24(22,23)11-10-13-6-2-1-3-7-13/h1-12,18,20H,(H,19,21)/b11-10+
InChIKeyQKIRHKLLZLGNNA-ZHACJKMWSA-N
XLogP2.40
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 134040428
[2-(1H-indol-3-yl)-2-oxoethyl] (2R)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
CID 2570389
N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980172
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
CID 27658436
(E)-3-(4-hydroxyphenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 11357505
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
CID 8504810
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide (CID 26980112) is N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide is O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide?
The InChIKey is QKIRHKLLZLGNNA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-17(15-12-18-16-9-5-4-8-14(15)16)19-20-24(22,23)11-10-13-6-2-1-3-7-13/h1-12,18,20H,(H,19,21)/b11-10+.
What are the key properties of N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide?
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide has a molecular weight of 341.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 26980112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).