N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide

C15H19N3O5S2 — CID 42175137

IUPACN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide
SMILESCOc1ccc(-c2cc(NS(C)(=O)=O)n([C@@H]3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C15H19N3O5S2/c1-23-13-5-3-11(4-6-13)14-9-15(17-24(2,19)20)18(16-14)12-7-8-25(21,22)10-12/h3-6,9,12,17H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyYCNZSSUMYVOLHY-GFCCVEGCSA-N
MW385.47 g/mol
LogP1.29
Rot. Bonds5

About N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide

N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide (PubChem CID 42175137) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide
PubChem CID42175137
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide
SMILESCOc1ccc(-c2cc(NS(C)(=O)=O)n([C@@H]3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C15H19N3O5S2/c1-23-13-5-3-11(4-6-13)14-9-15(17-24(2,19)20)18(16-14)12-7-8-25(21,22)10-12/h3-6,9,12,17H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyYCNZSSUMYVOLHY-GFCCVEGCSA-N
XLogP1.29
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide with MolForge

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Related Compounds

methyl 1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 27378117
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 42175093
N-[3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 51065169
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
CID 42175097
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
CID 42175098
1-(1,1-dioxothiolan-3-yl)-N,5-bis(4-methoxyphenyl)pyrazole-3-carboxamide
CID 20997352
2-(3,4-dimethylphenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 51065230
N-[3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 18146956
N-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 42341833
2-(4-chlorophenoxy)-N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]acetamide
CID 56729335
2-(3,4-dimethylphenoxy)-N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-(2-methylpropoxy)phenyl]pyrazol-5-yl]acetamide
CID 96564827
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-4-ethylbenzenesulfonamide
CID 42175110

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide (CID 42175137) is N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide is COc1ccc(-c2cc(NS(C)(=O)=O)n([C@@H]3CCS(=O)(=O)C3)n2)cc1.
What is the InChIKey of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide?
The InChIKey is YCNZSSUMYVOLHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-23-13-5-3-11(4-6-13)14-9-15(17-24(2,19)20)18(16-14)12-7-8-25(21,22)10-12/h3-6,9,12,17H,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide?
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 42175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).