N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide

C16H12N4O3S — CID 26980172

IUPACN'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N4O3S/c17-9-11-5-7-12(8-6-11)24(22,23)20-19-16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,(H,19,21)
InChIKeyLOWKTPIMKFUYJU-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.66
Rot. Bonds4

About N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide

N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide (PubChem CID 26980172) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
PubChem CID26980172
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC NameN'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESN#Cc1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N4O3S/c17-9-11-5-7-12(8-6-11)24(22,23)20-19-16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,(H,19,21)
InChIKeyLOWKTPIMKFUYJU-UHFFFAOYSA-N
XLogP1.66
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N'-(3-cyanobenzoyl)-1H-indole-3-carbohydrazide
CID 30144291
N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 134040428
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 55788905
N-(3-cyanothiophen-2-yl)-1H-indole-3-carboxamide
CID 60659752

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide (CID 26980172) is N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide is N#Cc1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The InChIKey is LOWKTPIMKFUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c17-9-11-5-7-12(8-6-11)24(22,23)20-19-16(21)14-10-18-15-4-2-1-3-13(14)15/h1-8,10,18,20H,(H,19,21).
What are the key properties of N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide?
N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide has a molecular weight of 340.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 26980172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).