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

C16H18N4O6S2 — CID 42175158

IUPACN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N4O6S2/c1-10-16(11(2)26-18-10)28(23,24)19-15-8-13(14-4-3-6-25-14)17-20(15)12-5-7-27(21,22)9-12/h3-4,6,8,12,19H,5,7,9H2,1-2H3/t12-/m0/s1
InChIKeyWFJIMRRUQXTZPY-LBPRGKRZSA-N
MW426.48 g/mol
LogP1.91
Rot. Bonds5

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

N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 42175158) has the molecular formula C16H18N4O6S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID42175158
Molecular FormulaC16H18N4O6S2
Molecular Weight426.48 g/mol
Exact Mass426.07
IUPAC NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H18N4O6S2/c1-10-16(11(2)26-18-10)28(23,24)19-15-8-13(14-4-3-6-25-14)17-20(15)12-5-7-27(21,22)9-12/h3-4,6,8,12,19H,5,7,9H2,1-2H3/t12-/m0/s1
InChIKeyWFJIMRRUQXTZPY-LBPRGKRZSA-N
XLogP1.91
TPSA137.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 42175093
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-4-ethylbenzenesulfonamide
CID 42175098
N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 86816594
N-[1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)pyrazol-5-yl]methanesulfonamide
CID 42175137
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55571414
methyl 1-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)pyrazole-3-carboxylate
CID 90480578
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
CID 25342203
[1-[(3S)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 27461815
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-4-ethylbenzenesulfonamide
CID 42175110
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 29269523
1-[(3R)-1,1-dioxothiolan-3-yl]-4-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 95915989
N-[4-(dimethylamino)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461974

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 42175158) is N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is WFJIMRRUQXTZPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O6S2/c1-10-16(11(2)26-18-10)28(23,24)19-15-8-13(14-4-3-6-25-14)17-20(15)12-5-7-27(21,22)9-12/h3-4,6,8,12,19H,5,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(furan-2-yl)pyrazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 426.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 42175158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).