4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

C18H20N4O2S — CID 50842192

IUPAC4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-15-6-10-18(11-7-15)25(23,24)21-17-8-4-16(5-9-17)12-22-14-19-13-20-22/h4-11,13-14,21H,2-3,12H2,1H3
InChIKeyRBQFYRRDHSFBMG-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.08
Rot. Bonds7

About 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 50842192) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID50842192
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-2-3-15-6-10-18(11-7-15)25(23,24)21-17-8-4-16(5-9-17)12-22-14-19-13-20-22/h4-11,13-14,21H,2-3,12H2,1H3
InChIKeyRBQFYRRDHSFBMG-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 39000621
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
2,4,5-trimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842138
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
1-acetyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 78864557
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
1-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanesulfonamide
CID 46397273
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 50842192) is 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is RBQFYRRDHSFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-3-15-6-10-18(11-7-15)25(23,24)21-17-8-4-16(5-9-17)12-22-14-19-13-20-22/h4-11,13-14,21H,2-3,12H2,1H3.
What are the key properties of 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 50842192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).