N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide

C14H17Cl2N3O2S — CID 58960376

IUPACN-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide
SMILESCCCc1cc(Cl)c(-n2nc(C)cc2NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2S/c1-4-5-10-7-11(15)14(12(16)8-10)19-13(6-9(2)17-19)18-22(3,20)21/h6-8,18H,4-5H2,1-3H3
InChIKeyPJXPVKBQMTWGJP-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide

N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide (PubChem CID 58960376) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide
PubChem CID58960376
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC NameN-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide
SMILESCCCc1cc(Cl)c(-n2nc(C)cc2NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2S/c1-4-5-10-7-11(15)14(12(16)8-10)19-13(6-9(2)17-19)18-22(3,20)21/h6-8,18H,4-5H2,1-3H3
InChIKeyPJXPVKBQMTWGJP-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide (CID 58960376) is N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide is CCCc1cc(Cl)c(-n2nc(C)cc2NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide?
The InChIKey is PJXPVKBQMTWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2S/c1-4-5-10-7-11(15)14(12(16)8-10)19-13(6-9(2)17-19)18-22(3,20)21/h6-8,18H,4-5H2,1-3H3.
What are the key properties of N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide?
N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide has a molecular weight of 362.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloro-4-propylphenyl)-5-methylpyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 58960376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).