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

C20H19N3O4S3 — CID 3632527

IUPACN-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H19N3O4S3/c1-29(24,25)22-16-11-9-15(10-12-16)18-14-19(20-8-5-13-28-20)23(21-18)30(26,27)17-6-3-2-4-7-17/h2-13,19,22H,14H2,1H3
InChIKeyLKNXXDWPLADMSD-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.66
Rot. Bonds6

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

N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 3632527) has the molecular formula C20H19N3O4S3 and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID3632527
Molecular FormulaC20H19N3O4S3
Molecular Weight461.59 g/mol
Exact Mass461.05
IUPAC NameN-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccs3)C2)cc1
InChIInChI=1S/C20H19N3O4S3/c1-29(24,25)22-16-11-9-15(10-12-16)18-14-19(20-8-5-13-28-20)23(21-18)30(26,27)17-6-3-2-4-7-17/h2-13,19,22H,14H2,1H3
InChIKeyLKNXXDWPLADMSD-UHFFFAOYSA-N
XLogP3.66
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
5-(4-fluorophenyl)-1-(phenylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 2916072
N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2964794
N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 3157407
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
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
N-(3-(5-(thiophen-2-yl)-1-tosyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 4463547
N-[3-[2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4463549
N-[3-(2-ethylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 4623219

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 3632527) is N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3cccs3)C2)cc1.
What is the InChIKey of N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is LKNXXDWPLADMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S3/c1-29(24,25)22-16-11-9-15(10-12-16)18-14-19(20-8-5-13-28-20)23(21-18)30(26,27)17-6-3-2-4-7-17/h2-13,19,22H,14H2,1H3.
What are the key properties of N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 461.59 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3632527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).