N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide

C19H22N4O2S — CID 51200625

IUPACN,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)cc1C
InChIInChI=1S/C19H22N4O2S/c1-14-5-10-19(11-15(14)2)26(24,25)22(4)16(3)17-6-8-18(9-7-17)23-13-20-12-21-23/h5-13,16H,1-4H3
InChIKeyAUEKDZARFXGDDR-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.27
Rot. Bonds5

About N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide

N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide (PubChem CID 51200625) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
PubChem CID51200625
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)cc1C
InChIInChI=1S/C19H22N4O2S/c1-14-5-10-19(11-15(14)2)26(24,25)22(4)16(3)17-6-8-18(9-7-17)23-13-20-12-21-23/h5-13,16H,1-4H3
InChIKeyAUEKDZARFXGDDR-UHFFFAOYSA-N
XLogP3.27
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide (CID 51200625) is N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is AUEKDZARFXGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-5-10-19(11-15(14)2)26(24,25)22(4)16(3)17-6-8-18(9-7-17)23-13-20-12-21-23/h5-13,16H,1-4H3.
What are the key properties of N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide?
N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 51200625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).