N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide

C14H10ClFN4O2S — CID 9184317

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4O2S/c15-10-1-6-14(20-9-17-8-18-20)13(7-10)19-23(21,22)12-4-2-11(16)3-5-12/h1-9,19H
InChIKeyMSIPWVKVSZYKSV-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.86
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 9184317) has the molecular formula C14H10ClFN4O2S and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID9184317
Molecular FormulaC14H10ClFN4O2S
Molecular Weight352.78 g/mol
Exact Mass352.02
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1
InChIInChI=1S/C14H10ClFN4O2S/c15-10-1-6-14(20-9-17-8-18-20)13(7-10)19-23(21,22)12-4-2-11(16)3-5-12/h1-9,19H
InChIKeyMSIPWVKVSZYKSV-UHFFFAOYSA-N
XLogP2.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide (CID 9184317) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is MSIPWVKVSZYKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2S/c15-10-1-6-14(20-9-17-8-18-20)13(7-10)19-23(21,22)12-4-2-11(16)3-5-12/h1-9,19H.
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 352.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 9184317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).