N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C12H14BrClN4O2S — CID 75433919

IUPACN-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cncc(Br)c2Cl)c1C
InChIInChI=1S/C12H14BrClN4O2S/c1-4-18-8(3)12(7(2)16-18)21(19,20)17-10-6-15-5-9(13)11(10)14/h5-6,17H,4H2,1-3H3
InChIKeyQCFJZYRPVAJTOY-UHFFFAOYSA-N
MW393.69 g/mol
LogP3.13
Rot. Bonds4

About N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 75433919) has the molecular formula C12H14BrClN4O2S and a molecular weight of 393.69 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID75433919
Molecular FormulaC12H14BrClN4O2S
Molecular Weight393.69 g/mol
Exact Mass391.97
IUPAC NameN-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cncc(Br)c2Cl)c1C
InChIInChI=1S/C12H14BrClN4O2S/c1-4-18-8(3)12(7(2)16-18)21(19,20)17-10-6-15-5-9(13)11(10)14/h5-6,17H,4H2,1-3H3
InChIKeyQCFJZYRPVAJTOY-UHFFFAOYSA-N
XLogP3.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 75433919) is N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cncc(Br)c2Cl)c1C.
What is the InChIKey of N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is QCFJZYRPVAJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O2S/c1-4-18-8(3)12(7(2)16-18)21(19,20)17-10-6-15-5-9(13)11(10)14/h5-6,17H,4H2,1-3H3.
What are the key properties of N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 393.69 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 75433919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).