1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

C16H19N3O2S3 — CID 9291586

IUPAC1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H19N3O2S3/c1-12-16(13(2)18(3)17-12)24(20,21)19(10-14-6-4-8-22-14)11-15-7-5-9-23-15/h4-9H,10-11H2,1-3H3
InChIKeyLPZWGDGNZLPJDZ-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.55
Rot. Bonds6

About 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 9291586) has the molecular formula C16H19N3O2S3 and a molecular weight of 381.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID9291586
Molecular FormulaC16H19N3O2S3
Molecular Weight381.55 g/mol
Exact Mass381.06
IUPAC Name1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C16H19N3O2S3/c1-12-16(13(2)18(3)17-12)24(20,21)19(10-14-6-4-8-22-14)11-15-7-5-9-23-15/h4-9H,10-11H2,1-3H3
InChIKeyLPZWGDGNZLPJDZ-UHFFFAOYSA-N
XLogP3.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 9291586) is 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is LPZWGDGNZLPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S3/c1-12-16(13(2)18(3)17-12)24(20,21)19(10-14-6-4-8-22-14)11-15-7-5-9-23-15/h4-9H,10-11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 381.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 9291586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).