N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide

C12H15ClN4O3S — CID 167760272

IUPACN-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(Cl)c(C)nn2C)cn1
InChIInChI=1S/C12H15ClN4O3S/c1-4-20-10-6-5-9(7-14-10)21(18,19)16-12-11(13)8(2)15-17(12)3/h5-7,16H,4H2,1-3H3
InChIKeyYBXLNURSGTYNRZ-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.98
Rot. Bonds5

About N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide

N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide (PubChem CID 167760272) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide
PubChem CID167760272
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC NameN-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(Cl)c(C)nn2C)cn1
InChIInChI=1S/C12H15ClN4O3S/c1-4-20-10-6-5-9(7-14-10)21(18,19)16-12-11(13)8(2)15-17(12)3/h5-7,16H,4H2,1-3H3
InChIKeyYBXLNURSGTYNRZ-UHFFFAOYSA-N
XLogP1.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide (CID 167760272) is N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2c(Cl)c(C)nn2C)cn1.
What is the InChIKey of N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide?
The InChIKey is YBXLNURSGTYNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c1-4-20-10-6-5-9(7-14-10)21(18,19)16-12-11(13)8(2)15-17(12)3/h5-7,16H,4H2,1-3H3.
What are the key properties of N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide?
N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide has a molecular weight of 330.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 167760272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).