3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

C15H19Cl2N3O2S — CID 153326466

IUPAC3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)nn1C
InChIInChI=1S/C15H19Cl2N3O2S/c1-5-15-14(10(2)18-20(15)4)9-19(3)23(21,22)13-7-11(16)6-12(17)8-13/h6-8H,5,9H2,1-4H3
InChIKeyUOXACBKJDHSUJE-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.42
Rot. Bonds5

About 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide

3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 153326466) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID153326466
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC Name3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCc1c(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)nn1C
InChIInChI=1S/C15H19Cl2N3O2S/c1-5-15-14(10(2)18-20(15)4)9-19(3)23(21,22)13-7-11(16)6-12(17)8-13/h6-8H,5,9H2,1-4H3
InChIKeyUOXACBKJDHSUJE-UHFFFAOYSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide (CID 153326466) is 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is CCc1c(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)nn1C.
What is the InChIKey of 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is UOXACBKJDHSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2S/c1-5-15-14(10(2)18-20(15)4)9-19(3)23(21,22)13-7-11(16)6-12(17)8-13/h6-8H,5,9H2,1-4H3.
What are the key properties of 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide?
3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 376.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(5-ethyl-1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 153326466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).