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

C15H11ClFN3O3S — CID 26980122

IUPACN'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H11ClFN3O3S/c16-12-7-9(5-6-13(12)17)24(22,23)20-19-15(21)11-8-18-14-4-2-1-3-10(11)14/h1-8,18,20H,(H,19,21)
InChIKeyPBXJLIURABFDJQ-UHFFFAOYSA-N
MW367.79 g/mol
LogP2.58
Rot. Bonds4

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

N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide (PubChem CID 26980122) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
PubChem CID26980122
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H11ClFN3O3S/c16-12-7-9(5-6-13(12)17)24(22,23)20-19-15(21)11-8-18-14-4-2-1-3-10(11)14/h1-8,18,20H,(H,19,21)
InChIKeyPBXJLIURABFDJQ-UHFFFAOYSA-N
XLogP2.58
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.58
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'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 26980835
N'-(2-phenylphenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 134040428
N'-(4-chloro-2-nitrobenzoyl)-1H-indole-3-carbohydrazide
CID 30145216
2-chloro-N-(4-fluorophenyl)-5-[(1H-indole-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 24541328
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
N'-[(E)-2-phenylethenyl]sulfonyl-1H-indole-3-carbohydrazide
CID 26980112
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide (CID 26980122) is N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide?
The InChIKey is PBXJLIURABFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c16-12-7-9(5-6-13(12)17)24(22,23)20-19-15(21)11-8-18-14-4-2-1-3-10(11)14/h1-8,18,20H,(H,19,21).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide has a molecular weight of 367.79 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide is sourced from PubChem (CID 26980122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).