5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide

C17H19N3O2S2 — CID 20947530

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-20(14-8-6-5-7-9-14)24(21,22)16-11-10-15(23-16)17-12(2)13(3)18-19-17/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyLWDPLTFQZAVDEJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.97
Rot. Bonds5

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide (PubChem CID 20947530) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
PubChem CID20947530
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-20(14-8-6-5-7-9-14)24(21,22)16-11-10-15(23-16)17-12(2)13(3)18-19-17/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyLWDPLTFQZAVDEJ-UHFFFAOYSA-N
XLogP3.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide (CID 20947530) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide?
The InChIKey is LWDPLTFQZAVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-4-20(14-8-6-5-7-9-14)24(21,22)16-11-10-15(23-16)17-12(2)13(3)18-19-17/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 20947530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).