4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

C15H16N4O3S2 — CID 122276037

IUPAC4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1C
InChIInChI=1S/C15H16N4O3S2/c1-11-7-14(3-4-15(11)22-2)24(20,21)16-8-12-9-19(18-17-12)13-5-6-23-10-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyYRTJGAQDHHKAQU-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.12
Rot. Bonds6

About 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122276037) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122276037
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1C
InChIInChI=1S/C15H16N4O3S2/c1-11-7-14(3-4-15(11)22-2)24(20,21)16-8-12-9-19(18-17-12)13-5-6-23-10-13/h3-7,9-10,16H,8H2,1-2H3
InChIKeyYRTJGAQDHHKAQU-UHFFFAOYSA-N
XLogP2.12
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]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

2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276029
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579954
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734118
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122245732
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
N-[[3-methoxy-4-[[1-(4-nitrophenyl)triazol-4-yl]methoxy]phenyl]methyl]-4-methylbenzenesulfonamide
CID 165437335
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
[1-(4-methoxy-3-methylphenyl)triazol-4-yl]methanol
CID 62399943
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-methoxy-3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721590

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122276037) is 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is YRTJGAQDHHKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-11-7-14(3-4-15(11)22-2)24(20,21)16-8-12-9-19(18-17-12)13-5-6-23-10-13/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122276037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).