4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide

C15H18ClN3O2S — CID 3835225

IUPAC4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(C)cc1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-9-7-14(10(2)6-12(9)16)22(20,21)18-15-8-13(11-4-5-11)17-19(15)3/h6-8,11,18H,4-5H2,1-3H3
InChIKeyGHMFYNIAMVIASE-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 3835225) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID3835225
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(C)cc1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-9-7-14(10(2)6-12(9)16)22(20,21)18-15-8-13(11-4-5-11)17-19(15)3/h6-8,11,18H,4-5H2,1-3H3
InChIKeyGHMFYNIAMVIASE-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide (CID 3835225) is 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2C)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is GHMFYNIAMVIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-9-7-14(10(2)6-12(9)16)22(20,21)18-15-8-13(11-4-5-11)17-19(15)3/h6-8,11,18H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3835225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).