1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide

C17H19N3O2S2 — CID 71809990

IUPAC1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C17H19N3O2S2/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-6-4-5-7-16(14)15-8-9-23-11-15/h4-9,11,18H,10H2,1-3H3
InChIKeyDJSJJDNMZLOALE-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.24
Rot. Bonds5

About 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 71809990) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID71809990
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C17H19N3O2S2/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-6-4-5-7-16(14)15-8-9-23-11-15/h4-9,11,18H,10H2,1-3H3
InChIKeyDJSJJDNMZLOALE-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide (CID 71809990) is 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is DJSJJDNMZLOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-12-17(13(2)20(3)19-12)24(21,22)18-10-14-6-4-5-7-16(14)15-8-9-23-11-15/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71809990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).