N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide

C14H16ClN3O3S — CID 51092425

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C14H16ClN3O3S/c1-10-13(9-17-18(10)2)14(19)16-7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyWVVLZVRLLFXJQZ-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide

N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 51092425) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID51092425
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C14H16ClN3O3S/c1-10-13(9-17-18(10)2)14(19)16-7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyWVVLZVRLLFXJQZ-UHFFFAOYSA-N
XLogP1.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide (CID 51092425) is N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cnn1C.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is WVVLZVRLLFXJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-10-13(9-17-18(10)2)14(19)16-7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 341.82 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51092425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).