N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide

C19H12Cl2N2O2S — CID 142129765

IUPACN'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide
SMILESO=C(NNSc1c(Cl)cccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-14-5-3-6-15(21)18(14)26-23-22-19(24)11-8-9-17-13(10-11)12-4-1-2-7-16(12)25-17/h1-10,23H,(H,22,24)
InChIKeyPIMQRTXAYOZUAP-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.83
Rot. Bonds4

About N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide

N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide (PubChem CID 142129765) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide
PubChem CID142129765
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC NameN'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide
SMILESO=C(NNSc1c(Cl)cccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-14-5-3-6-15(21)18(14)26-23-22-19(24)11-8-9-17-13(10-11)12-4-1-2-7-16(12)25-17/h1-10,23H,(H,22,24)
InChIKeyPIMQRTXAYOZUAP-UHFFFAOYSA-N
XLogP5.83
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide
CID 10272344
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
N-propyldibenzofuran-2-carboxamide
CID 19048225
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
N-(2-iodophenyl)dibenzofuran-2-carboxamide
CID 18876166
methyl dibenzofuran-2-carboxylate
CID 3702628
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]dibenzofuran-2-carboxamide
CID 18876171
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
CID 18876143
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide?
The IUPAC name of N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide (CID 142129765) is N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide?
The canonical SMILES for N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide is O=C(NNSc1c(Cl)cccc1Cl)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide?
The InChIKey is PIMQRTXAYOZUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c20-14-5-3-6-15(21)18(14)26-23-22-19(24)11-8-9-17-13(10-11)12-4-1-2-7-16(12)25-17/h1-10,23H,(H,22,24).
What are the key properties of N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide?
N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide has a molecular weight of 403.29 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide is sourced from PubChem (CID 142129765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).