N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide

C13H17ClN4O2S — CID 71871389

IUPACN-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N(C)c2ccc(Cl)cn2)c1C
InChIInChI=1S/C13H17ClN4O2S/c1-5-18-10(3)13(9(2)16-18)21(19,20)17(4)12-7-6-11(14)8-15-12/h6-8H,5H2,1-4H3
InChIKeySPEZYJPVTLGSNG-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.39
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide

N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71871389) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71871389
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC NameN-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N(C)c2ccc(Cl)cn2)c1C
InChIInChI=1S/C13H17ClN4O2S/c1-5-18-10(3)13(9(2)16-18)21(19,20)17(4)12-7-6-11(14)8-15-12/h6-8H,5H2,1-4H3
InChIKeySPEZYJPVTLGSNG-UHFFFAOYSA-N
XLogP2.39
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide (CID 71871389) is N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)N(C)c2ccc(Cl)cn2)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SPEZYJPVTLGSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-5-18-10(3)13(9(2)16-18)21(19,20)17(4)12-7-6-11(14)8-15-12/h6-8H,5H2,1-4H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 328.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71871389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).