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

C15H17N3O4S3 — CID 4134680

IUPACN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C15H17N3O4S3/c1-24(19,20)17-12-7-5-11(6-8-12)13-10-14(15-4-3-9-23-15)18(16-13)25(2,21)22/h3-9,14,17H,10H2,1-2H3
InChIKeyIPFLPGLXBNNWQS-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.23
Rot. Bonds5

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

N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 4134680) has the molecular formula C15H17N3O4S3 and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID4134680
Molecular FormulaC15H17N3O4S3
Molecular Weight399.52 g/mol
Exact Mass399.04
IUPAC NameN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C15H17N3O4S3/c1-24(19,20)17-12-7-5-11(6-8-12)13-10-14(15-4-3-9-23-15)18(16-13)25(2,21)22/h3-9,14,17H,10H2,1-2H3
InChIKeyIPFLPGLXBNNWQS-UHFFFAOYSA-N
XLogP2.23
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 4134680) is N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is IPFLPGLXBNNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S3/c1-24(19,20)17-12-7-5-11(6-8-12)13-10-14(15-4-3-9-23-15)18(16-13)25(2,21)22/h3-9,14,17H,10H2,1-2H3.
What are the key properties of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 4134680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).