3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

C14H10ClF3N2O4S — CID 8616640

IUPAC3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF3N2O4S/c15-10-3-1-2-9(8-10)13(21)19-20-25(22,23)12-6-4-11(5-7-12)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyPAGVOIGKHIRIHN-UHFFFAOYSA-N
MW394.76 g/mol
LogP2.86
Rot. Bonds5

About 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide

3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (PubChem CID 8616640) has the molecular formula C14H10ClF3N2O4S and a molecular weight of 394.76 g/mol. Its IUPAC name is 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
PubChem CID8616640
Molecular FormulaC14H10ClF3N2O4S
Molecular Weight394.76 g/mol
Exact Mass394.00
IUPAC Name3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C14H10ClF3N2O4S/c15-10-3-1-2-9(8-10)13(21)19-20-25(22,23)12-6-4-11(5-7-12)24-14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyPAGVOIGKHIRIHN-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
3,5-dimethoxy-N'-[3-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 24662326
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
5-methyl-N'-[4-(trifluoromethoxy)phenyl]sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 46800111
N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862821
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 35507212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide (CID 8616640) is 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
The InChIKey is PAGVOIGKHIRIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O4S/c15-10-3-1-2-9(8-10)13(21)19-20-25(22,23)12-6-4-11(5-7-12)24-14(16,17)18/h1-8,20H,(H,19,21).
What are the key properties of 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide?
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide has a molecular weight of 394.76 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8616640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).