N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide

C15H12ClFN4O2S — CID 100615789

IUPACN-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nncn1Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN4O2S/c16-13-8-12(17)6-7-14(13)24(22,23)20-15-19-18-10-21(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChIKeyHWVUZICBQCNSFS-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.92
Rot. Bonds5

About N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide

N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 100615789) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID100615789
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC NameN-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nncn1Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN4O2S/c16-13-8-12(17)6-7-14(13)24(22,23)20-15-19-18-10-21(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)
InChIKeyHWVUZICBQCNSFS-UHFFFAOYSA-N
XLogP2.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
6-[(2-chloro-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643790
2-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 131889231
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-chloro-4-fluoro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 3839906

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide (CID 100615789) is N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nncn1Cc1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is HWVUZICBQCNSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c16-13-8-12(17)6-7-14(13)24(22,23)20-15-19-18-10-21(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20).
What are the key properties of N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide?
N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 366.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 100615789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).