N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide

C20H12ClF3N2O4S — CID 10276840

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H12ClF3N2O4S/c21-15-7-6-12(20(22,23)24)10-18(15)31(28,29)26-25-19(27)11-5-8-17-14(9-11)13-3-1-2-4-16(13)30-17/h1-10,26H,(H,25,27)
InChIKeyCCDNYTVQVPXJGR-UHFFFAOYSA-N
MW468.84 g/mol
LogP4.88
Rot. Bonds4

About N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide

N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide (PubChem CID 10276840) has the molecular formula C20H12ClF3N2O4S and a molecular weight of 468.84 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
PubChem CID10276840
Molecular FormulaC20H12ClF3N2O4S
Molecular Weight468.84 g/mol
Exact Mass468.02
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H12ClF3N2O4S/c21-15-7-6-12(20(22,23)24)10-18(15)31(28,29)26-25-19(27)11-5-8-17-14(9-11)13-3-1-2-4-16(13)30-17/h1-10,26H,(H,25,27)
InChIKeyCCDNYTVQVPXJGR-UHFFFAOYSA-N
XLogP4.88
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.84
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide (CID 10276840) is N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide is O=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide?
The InChIKey is CCDNYTVQVPXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2O4S/c21-15-7-6-12(20(22,23)24)10-18(15)31(28,29)26-25-19(27)11-5-8-17-14(9-11)13-3-1-2-4-16(13)30-17/h1-10,26H,(H,25,27).
What are the key properties of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide?
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide has a molecular weight of 468.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide is sourced from PubChem (CID 10276840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).