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

C15H12ClFN4O2S — CID 71214748

IUPACN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN4O2S/c16-12-2-1-11(10-21-8-7-18-20-21)15(9-12)19-24(22,23)14-5-3-13(17)4-6-14/h1-9,19H,10H2
InChIKeyMFIVLNOOCKSNBE-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.92
Rot. Bonds5

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

N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 71214748) 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]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID71214748
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC NameN-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN4O2S/c16-12-2-1-11(10-21-8-7-18-20-21)15(9-12)19-24(22,23)14-5-3-13(17)4-6-14/h1-9,19H,10H2
InChIKeyMFIVLNOOCKSNBE-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

3,4-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 15985912
N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71214976
4,5-dichloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71450657
3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71450658
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
5-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71452488
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 71454246
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-fluorobenzenesulfonamide
CID 71454247
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71457815
4-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71461439
3,4-dichloro-N-[5-fluoro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71461440
US9656955, Example 842
CID 90405494

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide (CID 71214748) is N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is MFIVLNOOCKSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c16-12-2-1-11(10-21-8-7-18-20-21)15(9-12)19-24(22,23)14-5-3-13(17)4-6-14/h1-9,19H,10H2.
What are the key properties of N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide?
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-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-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71214748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).