4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

C11H10ClF3N4O3S — CID 1475294

IUPAC4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
SMILESCn1c(CN(O)S(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N4O3S/c1-18-9(16-17-10(18)11(13,14)15)6-19(20)23(21,22)8-4-2-7(12)3-5-8/h2-5,20H,6H2,1H3
InChIKeyIBZTUFLYVCZUCA-UHFFFAOYSA-N
MW370.74 g/mol
LogP2.07
Rot. Bonds4

About 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide (PubChem CID 1475294) has the molecular formula C11H10ClF3N4O3S and a molecular weight of 370.74 g/mol. Its IUPAC name is 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
PubChem CID1475294
Molecular FormulaC11H10ClF3N4O3S
Molecular Weight370.74 g/mol
Exact Mass370.01
IUPAC Name4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide
SMILESCn1c(CN(O)S(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N4O3S/c1-18-9(16-17-10(18)11(13,14)15)6-19(20)23(21,22)8-4-2-7(12)3-5-8/h2-5,20H,6H2,1H3
InChIKeyIBZTUFLYVCZUCA-UHFFFAOYSA-N
XLogP2.07
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide (CID 1475294) is 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide is Cn1c(CN(O)S(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is IBZTUFLYVCZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O3S/c1-18-9(16-17-10(18)11(13,14)15)6-19(20)23(21,22)8-4-2-7(12)3-5-8/h2-5,20H,6H2,1H3.
What are the key properties of 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide?
4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 370.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hydroxy-N-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1475294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).