N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide

C15H12ClFN4O2S — CID 71454247

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1
InChIInChI=1S/C15H12ClFN4O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10H2
InChIKeyBCZPRYJTVRIOOL-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.92
Rot. Bonds5

About N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 71454247) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID71454247
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1
InChIInChI=1S/C15H12ClFN4O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10H2
InChIKeyBCZPRYJTVRIOOL-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

3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
N-(2,5-difluorophenyl)-4-(triazol-1-yl)benzenesulfonamide
CID 141437592
1-[(3-chlorophenyl)methyl]triazole
CID 12811466
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
1-[(2-fluoro-4-nitrophenyl)methyl]triazole
CID 86816515
3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 121150849

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide (CID 71454247) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is BCZPRYJTVRIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c16-12-5-4-11(10-21-7-6-18-20-21)15(8-12)19-24(22,23)14-3-1-2-13(17)9-14/h1-9,19H,10H2.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-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-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 71454247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).