N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide

C21H17N3O3S — CID 134040428

IUPACN'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O3S/c25-21(18-14-22-19-12-6-4-11-17(18)19)23-24-28(26,27)20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14,22,24H,(H,23,25)
InChIKeyZEMMYYSYNHROPN-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.46
Rot. Bonds5

About N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide

N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide (PubChem CID 134040428) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
PubChem CID134040428
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O3S/c25-21(18-14-22-19-12-6-4-11-17(18)19)23-24-28(26,27)20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14,22,24H,(H,23,25)
InChIKeyZEMMYYSYNHROPN-UHFFFAOYSA-N
XLogP3.46
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.46
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'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980172
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide (CID 134040428) is N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide?
The InChIKey is ZEMMYYSYNHROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-21(18-14-22-19-12-6-4-11-17(18)19)23-24-28(26,27)20-13-7-5-10-16(20)15-8-2-1-3-9-15/h1-14,22,24H,(H,23,25).
What are the key properties of N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide?
N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide has a molecular weight of 391.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 134040428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).