5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C16H22ClN3O4S — CID 46972066

IUPAC5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-10-12(11(2)20(4)18-10)9-19(3)25(21,22)16-7-13(17)14(23-5)8-15(16)24-6/h7-8H,9H2,1-6H3
InChIKeyDLAPOUZHFJQXSQ-UHFFFAOYSA-N
MW387.89 g/mol
LogP2.53
Rot. Bonds6

About 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 46972066) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID46972066
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC Name5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1Cl
InChIInChI=1S/C16H22ClN3O4S/c1-10-12(11(2)20(4)18-10)9-19(3)25(21,22)16-7-13(17)14(23-5)8-15(16)24-6/h7-8H,9H2,1-6H3
InChIKeyDLAPOUZHFJQXSQ-UHFFFAOYSA-N
XLogP2.53
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 46972066) is 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is DLAPOUZHFJQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4S/c1-10-12(11(2)20(4)18-10)9-19(3)25(21,22)16-7-13(17)14(23-5)8-15(16)24-6/h7-8H,9H2,1-6H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 387.89 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 46972066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).