4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C15H21N3O3S — CID 19577806

IUPAC4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)18(4)16-11)10-17(3)22(19,20)14-8-6-13(21-5)7-9-14/h6-9H,10H2,1-5H3
InChIKeyFTPNWMAUJYOHFF-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.87
Rot. Bonds5

About 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 19577806) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID19577806
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)18(4)16-11)10-17(3)22(19,20)14-8-6-13(21-5)7-9-14/h6-9H,10H2,1-5H3
InChIKeyFTPNWMAUJYOHFF-UHFFFAOYSA-N
XLogP1.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 19577806) is 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is FTPNWMAUJYOHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-15(12(2)18(4)16-11)10-17(3)22(19,20)14-8-6-13(21-5)7-9-14/h6-9H,10H2,1-5H3.
What are the key properties of 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19577806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).