N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

C16H17N3O3S2 — CID 2983587

IUPACN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-11(20)19-15(16-7-4-8-23-16)10-14(17-19)12-5-3-6-13(9-12)18-24(2,21)22/h3-9,15,18H,10H2,1-2H3
InChIKeyOMPHDCFEWYVTRE-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.82
Rot. Bonds4

About N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide

N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 2983587) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID2983587
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-11(20)19-15(16-7-4-8-23-16)10-14(17-19)12-5-3-6-13(9-12)18-24(2,21)22/h3-9,15,18H,10H2,1-2H3
InChIKeyOMPHDCFEWYVTRE-UHFFFAOYSA-N
XLogP2.82
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 2983587) is N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1.
What is the InChIKey of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is OMPHDCFEWYVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-11(20)19-15(16-7-4-8-23-16)10-14(17-19)12-5-3-6-13(9-12)18-24(2,21)22/h3-9,15,18H,10H2,1-2H3.
What are the key properties of N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 2983587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).