N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide

C18H20N4O3S — CID 177478760

IUPACN-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nn(C)nc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13-5-11-16(12-6-13)26(23,24)21(2)18-17(19-22(3)20-18)14-7-9-15(25-4)10-8-14/h5-12H,1-4H3
InChIKeyLSUMFBZCBHGZDI-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.62
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide

N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide (PubChem CID 177478760) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
PubChem CID177478760
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nn(C)nc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13-5-11-16(12-6-13)26(23,24)21(2)18-17(19-22(3)20-18)14-7-9-15(25-4)10-8-14/h5-12H,1-4H3
InChIKeyLSUMFBZCBHGZDI-UHFFFAOYSA-N
XLogP2.62
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide 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-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 4789393
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 40796334
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]benzenesulfonamide
CID 24757955

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide (CID 177478760) is N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide is COc1ccc(-c2nn(C)nc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is LSUMFBZCBHGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-5-11-16(12-6-13)26(23,24)21(2)18-17(19-22(3)20-18)14-7-9-15(25-4)10-8-14/h5-12H,1-4H3.
What are the key properties of N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide?
N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 177478760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).