2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

C19H22N4O2S — CID 39000621

IUPAC2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)c1C
InChIInChI=1S/C19H22N4O2S/c1-13-9-14(2)16(4)19(15(13)3)26(24,25)22-18-7-5-17(6-8-18)10-23-12-20-11-21-23/h5-9,11-12,22H,10H2,1-4H3
InChIKeyYNICRUSMOIYBJP-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.36
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 39000621) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID39000621
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)c1C
InChIInChI=1S/C19H22N4O2S/c1-13-9-14(2)16(4)19(15(13)3)26(24,25)22-18-7-5-17(6-8-18)10-23-12-20-11-21-23/h5-9,11-12,22H,10H2,1-4H3
InChIKeyYNICRUSMOIYBJP-UHFFFAOYSA-N
XLogP3.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842138
4-propyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842192
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
1-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanesulfonamide
CID 46397273
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206688
1-acetyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 78864557
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 39000621) is 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is YNICRUSMOIYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-9-14(2)16(4)19(15(13)3)26(24,25)22-18-7-5-17(6-8-18)10-23-12-20-11-21-23/h5-9,11-12,22H,10H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39000621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).