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

C16H23N3O3S2 — CID 71806179

IUPAC1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C16H23N3O3S2/c1-12-15(13(2)19(3)18-12)24(20,21)17-11-16(6-8-22-9-7-16)14-5-4-10-23-14/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyPMSPGVZUZZTJGI-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.13
Rot. Bonds5

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

1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71806179) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71806179
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC Name1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C16H23N3O3S2/c1-12-15(13(2)19(3)18-12)24(20,21)17-11-16(6-8-22-9-7-16)14-5-4-10-23-14/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyPMSPGVZUZZTJGI-UHFFFAOYSA-N
XLogP2.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide (CID 71806179) is 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is PMSPGVZUZZTJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-12-15(13(2)19(3)18-12)24(20,21)17-11-16(6-8-22-9-7-16)14-5-4-10-23-14/h4-5,10,17H,6-9,11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).