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

C19H21N3O5S2 — CID 42175098

IUPACN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21N3O5S2/c1-2-14-5-7-16(8-6-14)29(25,26)21-19-12-17(18-4-3-10-27-18)20-22(19)15-9-11-28(23,24)13-15/h3-8,10,12,15,21H,2,9,11,13H2,1H3/t15-/m0/s1
InChIKeyBYHTXRONQWPJSL-HNNXBMFYSA-N
MW435.53 g/mol
LogP2.87
Rot. Bonds6

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

N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide (PubChem CID 42175098) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
PubChem CID42175098
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C19H21N3O5S2/c1-2-14-5-7-16(8-6-14)29(25,26)21-19-12-17(18-4-3-10-27-18)20-22(19)15-9-11-28(23,24)13-15/h3-8,10,12,15,21H,2,9,11,13H2,1H3/t15-/m0/s1
InChIKeyBYHTXRONQWPJSL-HNNXBMFYSA-N
XLogP2.87
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide (CID 42175098) is N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide?
The InChIKey is BYHTXRONQWPJSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-2-14-5-7-16(8-6-14)29(25,26)21-19-12-17(18-4-3-10-27-18)20-22(19)15-9-11-28(23,24)13-15/h3-8,10,12,15,21H,2,9,11,13H2,1H3/t15-/m0/s1.
What are the key properties of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide?
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide has a molecular weight of 435.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 42175098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).