N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide

C19H13ClN2O4S — CID 10272344

IUPACN'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H13ClN2O4S/c20-13-4-3-5-14(11-13)27(24,25)22-21-19(23)12-8-9-18-16(10-12)15-6-1-2-7-17(15)26-18/h1-11,22H,(H,21,23)
InChIKeyZRUCMWBZZMFHEC-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.86
Rot. Bonds4

About N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide

N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide (PubChem CID 10272344) has the molecular formula C19H13ClN2O4S and a molecular weight of 400.84 g/mol. Its IUPAC name is N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide
PubChem CID10272344
Molecular FormulaC19H13ClN2O4S
Molecular Weight400.84 g/mol
Exact Mass400.03
IUPAC NameN'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H13ClN2O4S/c20-13-4-3-5-14(11-13)27(24,25)22-21-19(23)12-8-9-18-16(10-12)15-6-1-2-7-17(15)26-18/h1-11,22H,(H,21,23)
InChIKeyZRUCMWBZZMFHEC-UHFFFAOYSA-N
XLogP3.86
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
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'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
N'-(2,6-dichlorophenyl)sulfanyldibenzofuran-2-carbohydrazide
CID 142129765
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
[(3-chlorophenyl)sulfonylamino]thiourea
CID 65214631
N-propyldibenzofuran-2-carboxamide
CID 19048225
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide?
The IUPAC name of N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide (CID 10272344) is N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide?
The InChIKey is ZRUCMWBZZMFHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4S/c20-13-4-3-5-14(11-13)27(24,25)22-21-19(23)12-8-9-18-16(10-12)15-6-1-2-7-17(15)26-18/h1-11,22H,(H,21,23).
What are the key properties of N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide?
N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide has a molecular weight of 400.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)sulfonyldibenzofuran-2-carbohydrazide is sourced from PubChem (CID 10272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).