1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide

C14H19N3O3S — CID 6469348

IUPAC1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C14H19N3O3S/c1-3-17-11-13(10-15-17)21(18,19)16-9-8-12-6-4-5-7-14(12)20-2/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyXNICISNCLGMZCK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.43
Rot. Bonds7

About 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 6469348) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID6469348
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccccc2OC)cn1
InChIInChI=1S/C14H19N3O3S/c1-3-17-11-13(10-15-17)21(18,19)16-9-8-12-6-4-5-7-14(12)20-2/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyXNICISNCLGMZCK-UHFFFAOYSA-N
XLogP1.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide (CID 6469348) is 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccccc2OC)cn1.
What is the InChIKey of 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is XNICISNCLGMZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-17-11-13(10-15-17)21(18,19)16-9-8-12-6-4-5-7-14(12)20-2/h4-7,10-11,16H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6469348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).