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

C17H19N3O4S2 — CID 4571186

IUPACN-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3
InChIKeyGFFSJYBFMGNFNC-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.17
Rot. Bonds5

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

N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 4571186) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID4571186
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3
InChIKeyGFFSJYBFMGNFNC-UHFFFAOYSA-N
XLogP2.17
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 4571186) is N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is GFFSJYBFMGNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3.
What are the key properties of N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylsulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 4571186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).