4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide

C13H15ClN4O2S — CID 106315502

IUPAC4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H15ClN4O2S/c1-18-13(12(14)8-16-18)21(19,20)17-5-9-2-3-10-6-15-7-11(10)4-9/h2-4,8,15,17H,5-7H2,1H3
InChIKeyJXOUPECMUOOXNM-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.16
Rot. Bonds4

About 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106315502) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106315502
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H15ClN4O2S/c1-18-13(12(14)8-16-18)21(19,20)17-5-9-2-3-10-6-15-7-11(10)4-9/h2-4,8,15,17H,5-7H2,1H3
InChIKeyJXOUPECMUOOXNM-UHFFFAOYSA-N
XLogP1.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide (CID 106315502) is 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc2c(c1)CNC2.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is JXOUPECMUOOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-18-13(12(14)8-16-18)21(19,20)17-5-9-2-3-10-6-15-7-11(10)4-9/h2-4,8,15,17H,5-7H2,1H3.
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106315502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).