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

C16H19N3O4S3 — CID 3157407

IUPACN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C16H19N3O4S3/c1-3-26(22,23)18-13-8-6-12(7-9-13)14-11-15(16-5-4-10-24-16)19(17-14)25(2,20)21/h4-10,15,18H,3,11H2,1-2H3
InChIKeyDQMSPSVWMUYVIF-UHFFFAOYSA-N
MW413.55 g/mol
LogP2.62
Rot. Bonds6

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

N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 3157407) has the molecular formula C16H19N3O4S3 and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID3157407
Molecular FormulaC16H19N3O4S3
Molecular Weight413.55 g/mol
Exact Mass413.05
IUPAC NameN-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3cccs3)C2)cc1
InChIInChI=1S/C16H19N3O4S3/c1-3-26(22,23)18-13-8-6-12(7-9-13)14-11-15(16-5-4-10-24-16)19(17-14)25(2,20)21/h4-10,15,18H,3,11H2,1-2H3
InChIKeyDQMSPSVWMUYVIF-UHFFFAOYSA-N
XLogP2.62
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Acetyl-3-{3-[(ethylsulfonyl)amino]phenyl}-5-(2-thienyl)-2-pyrazoline
CID 2963394
1-(methylsulfonyl)-5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 2953042
5-(4-Ethylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 2953135
N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2964794
N-(4-(1-(phenylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 3632527
N-{4-[1-(2-methylpropanoyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 4092587
N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 4134680
N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4225471
1-(methylsulfonyl)-3-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 4299203
5-(4-Methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 4311525
N-(3-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 4354036
N-[3-(2-ethylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide
CID 4463546

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide (CID 3157407) is N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is DQMSPSVWMUYVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S3/c1-3-26(22,23)18-13-8-6-12(7-9-13)14-11-15(16-5-4-10-24-16)19(17-14)25(2,20)21/h4-10,15,18H,3,11H2,1-2H3.
What are the key properties of N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide?
N-[4-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 413.55 g/mol, XLogP of 2.62, 6 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]ethanesulfonamide is sourced from PubChem (CID 3157407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).