4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

C16H22ClN3O2S — CID 22204120

IUPAC4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H22ClN3O2S/c1-6-20-13(4)14(9-18-20)10-19(5)23(21,22)16-8-11(2)15(17)7-12(16)3/h7-9H,6,10H2,1-5H3
InChIKeyMZFPOMVNMKMNPE-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide

4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 22204120) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID22204120
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C
InChIInChI=1S/C16H22ClN3O2S/c1-6-20-13(4)14(9-18-20)10-19(5)23(21,22)16-8-11(2)15(17)7-12(16)3/h7-9H,6,10H2,1-5H3
InChIKeyMZFPOMVNMKMNPE-UHFFFAOYSA-N
XLogP3.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
CID 22771494
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 999537
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 22204096
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 131900433
1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
CID 22203950
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 171315030
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
CID 23880213
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22207915
N-(5-chloro-2-methylphenyl)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22194169

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide (CID 22204120) is 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C.
What is the InChIKey of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is MZFPOMVNMKMNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c1-6-20-13(4)14(9-18-20)10-19(5)23(21,22)16-8-11(2)15(17)7-12(16)3/h7-9H,6,10H2,1-5H3.
What are the key properties of 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide?
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 355.89 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 22204120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).