N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

C12H17N3O3S2 — CID 73167968

IUPACN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O3S2/c1-14-9-12(7-13-14)20(16,17)15(4-5-18-2)8-11-3-6-19-10-11/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeySDOKVOFUUUMKMG-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.32
Rot. Bonds7

About N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 73167968) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID73167968
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O3S2/c1-14-9-12(7-13-14)20(16,17)15(4-5-18-2)8-11-3-6-19-10-11/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeySDOKVOFUUUMKMG-UHFFFAOYSA-N
XLogP1.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 73167968) is N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is COCCN(Cc1ccsc1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is SDOKVOFUUUMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-14-9-12(7-13-14)20(16,17)15(4-5-18-2)8-11-3-6-19-10-11/h3,6-7,9-10H,4-5,8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 73167968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).