2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H18ClN3O3S2 — CID 3721339

IUPAC2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1N(C(=O)CSc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H18ClN3O3S2/c1-10-15(11(2)18(3)17-10)19(24(4,21)22)14(20)9-23-13-7-5-12(16)6-8-13/h5-8H,9H2,1-4H3
InChIKeyDRXCFZZPXHOHAA-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 3721339) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID3721339
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1N(C(=O)CSc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C15H18ClN3O3S2/c1-10-15(11(2)18(3)17-10)19(24(4,21)22)14(20)9-23-13-7-5-12(16)6-8-13/h5-8H,9H2,1-4H3
InChIKeyDRXCFZZPXHOHAA-UHFFFAOYSA-N
XLogP2.78
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 3721339) is 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1N(C(=O)CSc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DRXCFZZPXHOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c1-10-15(11(2)18(3)17-10)19(24(4,21)22)14(20)9-23-13-7-5-12(16)6-8-13/h5-8H,9H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3721339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).