3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

C15H10Cl4N4O2S — CID 71450658

IUPAC3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2
InChIKeyRIEUAZKSQUTJQU-UHFFFAOYSA-N
MW452.15 g/mol
LogP4.74
Rot. Bonds5

About 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 71450658) has the molecular formula C15H10Cl4N4O2S and a molecular weight of 452.15 g/mol. Its IUPAC name is 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID71450658
Molecular FormulaC15H10Cl4N4O2S
Molecular Weight452.15 g/mol
Exact Mass449.93
IUPAC Name3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2
InChIKeyRIEUAZKSQUTJQU-UHFFFAOYSA-N
XLogP4.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 54.74
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
3-chloro-N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71452487
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
5-chloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 71454248
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
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-3-cyanobenzenesulfonamide
CID 71456007
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 71463165
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]-4-fluorobenzenesulfonamide
CID 71214748

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 71450658) is 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is RIEUAZKSQUTJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N4O2S/c16-11-2-1-10(6-13(11)18)26(24,25)21-15-7-14(19)12(17)5-9(15)8-23-4-3-20-22-23/h1-7,21H,8H2.
What are the key properties of 3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 452.15 g/mol, XLogP of 4.74, 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-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71450658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).