N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide

C14H21N5O2S — CID 75517794

IUPACN,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2nncn2C)cc1
InChIInChI=1S/C14H21N5O2S/c1-4-19(5-2)22(20,21)13-8-6-12(7-9-13)15-10-14-17-16-11-18(14)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyRARCPGAZNNSKLU-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.46
Rot. Bonds7

About N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide

N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide (PubChem CID 75517794) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide
PubChem CID75517794
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2nncn2C)cc1
InChIInChI=1S/C14H21N5O2S/c1-4-19(5-2)22(20,21)13-8-6-12(7-9-13)15-10-14-17-16-11-18(14)3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyRARCPGAZNNSKLU-UHFFFAOYSA-N
XLogP1.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2927218
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 37520147
N-[4-(dimethylsulfamoyl)phenyl]-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 9179281
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 9179282
N-(4-(N-(1-(1H-1,2,4-triazol-1-yl)propan-2-yl)sulfamoyl)phenyl)acetamide
CID 15943545
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16277997
N-(4-{[(tert-butyl)amino]sulfonyl}phenyl)-2-(1,2,4-triazolyl)acetamide
CID 19164234
4-{3-methyl-5-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1H-1,2,4-triazol-1-yl}benzenesulfonamide
CID 72846184
1-Methylsulfonyl-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 87052262
1-[4-[3,5-Bis(trifluoromethyl)-1,2,4-triazol-4-yl]phenyl]sulfonyl-3-methyl-thiourea
CID 56601074
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 56806034
N-[3-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethylsulfonyl)aniline
CID 72043056

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide (CID 75517794) is N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2nncn2C)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is RARCPGAZNNSKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-4-19(5-2)22(20,21)13-8-6-12(7-9-13)15-10-14-17-16-11-18(14)3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide?
N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 75517794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).