N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C18H16N4O4S2 — CID 2812825

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16N4O4S2/c1-12-17(18(23)22(21(12)2)13-6-4-3-5-7-13)20-28(24,25)16-9-8-15(27-16)14-10-11-26-19-14/h3-11,20H,1-2H3
InChIKeyTZPQZRXDCYGCFU-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.00
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 2812825) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID2812825
Molecular FormulaC18H16N4O4S2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16N4O4S2/c1-12-17(18(23)22(21(12)2)13-6-4-3-5-7-13)20-28(24,25)16-9-8-15(27-16)14-10-11-26-19-14/h3-11,20H,1-2H3
InChIKeyTZPQZRXDCYGCFU-UHFFFAOYSA-N
XLogP3.00
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 2812825) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is Cc1c(NS(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is TZPQZRXDCYGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c1-12-17(18(23)22(21(12)2)13-6-4-3-5-7-13)20-28(24,25)16-9-8-15(27-16)14-10-11-26-19-14/h3-11,20H,1-2H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 416.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2812825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).