N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide

C14H10ClF3N2O4S — CID 8511112

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C14H10ClF3N2O4S/c15-11-6-5-8(7-10(11)14(16,17)18)25(23,24)20-19-13(22)9-3-1-2-4-12(9)21/h1-7,20-21H,(H,19,22)
InChIKeyIYPOHSUGNNTYHF-UHFFFAOYSA-N
MW394.76 g/mol
LogP2.69
Rot. Bonds4

About N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide

N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide (PubChem CID 8511112) has the molecular formula C14H10ClF3N2O4S and a molecular weight of 394.76 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide
PubChem CID8511112
Molecular FormulaC14H10ClF3N2O4S
Molecular Weight394.76 g/mol
Exact Mass394.00
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O
InChIInChI=1S/C14H10ClF3N2O4S/c15-11-6-5-8(7-10(11)14(16,17)18)25(23,24)20-19-13(22)9-3-1-2-4-12(9)21/h1-7,20-21H,(H,19,22)
InChIKeyIYPOHSUGNNTYHF-UHFFFAOYSA-N
XLogP2.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 52.69
H-Bond Donors ≤ 53
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'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide (CID 8511112) is N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1O.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide?
The InChIKey is IYPOHSUGNNTYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O4S/c15-11-6-5-8(7-10(11)14(16,17)18)25(23,24)20-19-13(22)9-3-1-2-4-12(9)21/h1-7,20-21H,(H,19,22).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide has a molecular weight of 394.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-hydroxybenzohydrazide is sourced from PubChem (CID 8511112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).