3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H11Cl3N4O2S — CID 69461293

IUPAC3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N4O2S/c16-11-1-4-15(10(7-11)9-22-6-5-19-21-22)20-25(23,24)12-2-3-13(17)14(18)8-12/h1-8,20H,9H2
InChIKeyXIQPLJHCZVZBBU-UHFFFAOYSA-N
MW417.71 g/mol
LogP4.09
Rot. Bonds5

About 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 69461293) has the molecular formula C15H11Cl3N4O2S and a molecular weight of 417.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID69461293
Molecular FormulaC15H11Cl3N4O2S
Molecular Weight417.71 g/mol
Exact Mass415.97
IUPAC Name3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3N4O2S/c16-11-1-4-15(10(7-11)9-22-6-5-19-21-22)20-25(23,24)12-2-3-13(17)14(18)8-12/h1-8,20H,9H2
InChIKeyXIQPLJHCZVZBBU-UHFFFAOYSA-N
XLogP4.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.71
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 69461293) is 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is XIQPLJHCZVZBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N4O2S/c16-11-1-4-15(10(7-11)9-22-6-5-19-21-22)20-25(23,24)12-2-3-13(17)14(18)8-12/h1-8,20H,9H2.
What are the key properties of 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 417.71 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 69461293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).