2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide

C14H15Cl2N3O2S — CID 4585560

IUPAC2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2S/c1-8-5-13(11(16)6-10(8)15)22(20,21)18-14-7-12(9-3-4-9)17-19(14)2/h5-7,9,18H,3-4H2,1-2H3
InChIKeyWRZHEOYUFGUASC-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.71
Rot. Bonds4

About 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide (PubChem CID 4585560) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
PubChem CID4585560
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC Name2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2S/c1-8-5-13(11(16)6-10(8)15)22(20,21)18-14-7-12(9-3-4-9)17-19(14)2/h5-7,9,18H,3-4H2,1-2H3
InChIKeyWRZHEOYUFGUASC-UHFFFAOYSA-N
XLogP3.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide (CID 4585560) is 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide?
The InChIKey is WRZHEOYUFGUASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c1-8-5-13(11(16)6-10(8)15)22(20,21)18-14-7-12(9-3-4-9)17-19(14)2/h5-7,9,18H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide has a molecular weight of 360.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 4585560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).