N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C11H13ClN4O2S — CID 114051879

IUPACN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3
InChIKeyLPWPOLBSRNYVLZ-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.89
Rot. Bonds3

About N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 114051879) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID114051879
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3
InChIKeyLPWPOLBSRNYVLZ-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 114051879) is N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is LPWPOLBSRNYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)19(17,18)15-10-6-13-5-4-9(10)12/h4-6,15H,1-3H3.
What are the key properties of N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 114051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).