4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide

C16H16N4O3S — CID 44577575

IUPAC4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1
InChIInChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyPLCKTMGWXIPGQX-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.90
Rot. Bonds4

About 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide

4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide (PubChem CID 44577575) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide
PubChem CID44577575
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1
InChIInChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
InChIKeyPLCKTMGWXIPGQX-UHFFFAOYSA-N
XLogP1.90
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxybenzyl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 2809786
4-[2-[1-(2-Methoxyphenyl)triazol-4-yl]phenyl]sulfonylaniline
CID 129907810
4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071014
5-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-1H-1,2,3-triazole
CID 44581948
4-[4-[(3-Methylphenoxy)methyl]triazol-1-yl]benzenesulfonamide
CID 134152542
1H-1,2,3-Triazole, 1,4-bis(4-methoxyphenyl)-
CID 11694809
N'-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
CID 5342483
4-(4-Methoxyphenyl)-1-[(3-methoxyphenyl)methyl]triazole
CID 24793760
4-[5-(4-Methoxyphenyl)-3-(4-pyridyl)-2-pyrazolin-1-yl]benzenesulfonamide
CID 44216841
1-(4-Methanesulfonyl-phenyl)-4-(4-methoxyphenyl)-1H-[1,2,3]triazole
CID 44581928
5-(4-methoxyphenylsulfonyl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine
CID 46902385
4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 73347760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide (CID 44577575) is 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide is COc1ccc(-c2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)c(C)c1.
What is the InChIKey of 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is PLCKTMGWXIPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22).
What are the key properties of 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide?
4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 44577575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).