3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide

C15H23N5O2S2 — CID 24604083

IUPAC3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
SMILESCCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N
InChIInChI=1S/C15H23N5O2S2/c1-4-10-23-15-18-17-14(20(15)16)12-8-7-9-13(11-12)24(21,22)19(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyHMERUYNMHBZSHM-UHFFFAOYSA-N
MW369.52 g/mol
LogP2.19
Rot. Bonds8

About 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide

3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide (PubChem CID 24604083) has the molecular formula C15H23N5O2S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
PubChem CID24604083
Molecular FormulaC15H23N5O2S2
Molecular Weight369.52 g/mol
Exact Mass369.13
IUPAC Name3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide
SMILESCCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N
InChIInChI=1S/C15H23N5O2S2/c1-4-10-23-15-18-17-14(20(15)16)12-8-7-9-13(11-12)24(21,22)19(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyHMERUYNMHBZSHM-UHFFFAOYSA-N
XLogP2.19
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-5-(2-cyanoethylsulfanyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 33278982
3-[4-amino-5-[3-(dimethylsulfamoyl)propylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 56506971
3-[4-amino-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 2547196
3-[4-amino-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 24570485
2-[[4-amino-5-[3-(diethylsulfamoyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 2390127
3-[4-amino-5-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 2390976
3-[4-amino-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 4555084
3-[4-amino-5-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide
CID 60558976
N,N-diethyl-3-[4-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 112785137
2-[[5-[3-(diethylsulfamoyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 4850090
N-carbamoyl-2-[[5-[3-(diethylsulfamoyl)phenyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16509517
N,N-diethyl-3-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 2082373

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide (CID 24604083) is 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide is CCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N.
What is the InChIKey of 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide?
The InChIKey is HMERUYNMHBZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S2/c1-4-10-23-15-18-17-14(20(15)16)12-8-7-9-13(11-12)24(21,22)19(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide?
3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide has a molecular weight of 369.52 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-propylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 24604083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).