4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide

C14H20N4O3S — CID 126823335

IUPAC4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn(C(C)C)nn2)c(C)c1
InChIInChI=1S/C14H20N4O3S/c1-10(2)18-9-12(16-17-18)8-15-22(19,20)14-6-5-13(21-4)7-11(14)3/h5-7,9-10,15H,8H2,1-4H3
InChIKeyGGDRSBSRMCIPLH-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.65
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 126823335) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID126823335
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cn(C(C)C)nn2)c(C)c1
InChIInChI=1S/C14H20N4O3S/c1-10(2)18-9-12(16-17-18)8-15-22(19,20)14-6-5-13(21-4)7-11(14)3/h5-7,9-10,15H,8H2,1-4H3
InChIKeyGGDRSBSRMCIPLH-UHFFFAOYSA-N
XLogP1.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642092
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110728011
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide (CID 126823335) is 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cn(C(C)C)nn2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is GGDRSBSRMCIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(2)18-9-12(16-17-18)8-15-22(19,20)14-6-5-13(21-4)7-11(14)3/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 126823335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).