5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C16H18N4O2S2 — CID 45232108

IUPAC5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccccn3)c2C)s1
InChIInChI=1S/C16H18N4O2S2/c1-11-7-8-16(23-11)24(21,22)19-12(2)14-10-18-20(13(14)3)15-6-4-5-9-17-15/h4-10,12,19H,1-3H3
InChIKeyWIEQIUCMGKLVOH-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.99
Rot. Bonds5

About 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 45232108) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID45232108
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccccn3)c2C)s1
InChIInChI=1S/C16H18N4O2S2/c1-11-7-8-16(23-11)24(21,22)19-12(2)14-10-18-20(13(14)3)15-6-4-5-9-17-15/h4-10,12,19H,1-3H3
InChIKeyWIEQIUCMGKLVOH-UHFFFAOYSA-N
XLogP2.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 45232108) is 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccccn3)c2C)s1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WIEQIUCMGKLVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-11-7-8-16(23-11)24(21,22)19-12(2)14-10-18-20(13(14)3)15-6-4-5-9-17-15/h4-10,12,19H,1-3H3.
What are the key properties of 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45232108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).