N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide

C16H17N3O2S2 — CID 22205934

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(Cc2cccc(NS(=O)(=O)c3cccs3)c2)n1
InChIInChI=1S/C16H17N3O2S2/c1-12-9-13(2)19(17-12)11-14-5-3-6-15(10-14)18-23(20,21)16-7-4-8-22-16/h3-10,18H,11H2,1-2H3
InChIKeyUGSKJSNERLBIFN-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.41
Rot. Bonds5

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 22205934) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
PubChem CID22205934
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(C)n(Cc2cccc(NS(=O)(=O)c3cccs3)c2)n1
InChIInChI=1S/C16H17N3O2S2/c1-12-9-13(2)19(17-12)11-14-5-3-6-15(10-14)18-23(20,21)16-7-4-8-22-16/h3-10,18H,11H2,1-2H3
InChIKeyUGSKJSNERLBIFN-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide (CID 22205934) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide is Cc1cc(C)n(Cc2cccc(NS(=O)(=O)c3cccs3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UGSKJSNERLBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-12-9-13(2)19(17-12)11-14-5-3-6-15(10-14)18-23(20,21)16-7-4-8-22-16/h3-10,18H,11H2,1-2H3.
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).