N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide

C19H21N3O5S2 — CID 42175093

IUPACN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H21N3O5S2/c1-13-5-6-16(10-14(13)2)29(25,26)21-19-11-17(18-4-3-8-27-18)20-22(19)15-7-9-28(23,24)12-15/h3-6,8,10-11,15,21H,7,9,12H2,1-2H3/t15-/m1/s1
InChIKeyFSWLSRQGSSJANM-OAHLLOKOSA-N
MW435.53 g/mol
LogP2.92
Rot. Bonds5

About N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide

N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 42175093) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID42175093
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC NameN-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C19H21N3O5S2/c1-13-5-6-16(10-14(13)2)29(25,26)21-19-11-17(18-4-3-8-27-18)20-22(19)15-7-9-28(23,24)12-15/h3-6,8,10-11,15,21H,7,9,12H2,1-2H3/t15-/m1/s1
InChIKeyFSWLSRQGSSJANM-OAHLLOKOSA-N
XLogP2.92
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide (CID 42175093) is N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is FSWLSRQGSSJANM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-13-5-6-16(10-14(13)2)29(25,26)21-19-11-17(18-4-3-8-27-18)20-22(19)15-7-9-28(23,24)12-15/h3-6,8,10-11,15,21H,7,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide?
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 435.53 g/mol, XLogP of 2.92, 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-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 42175093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).