N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide

C17H20N4O5S — CID 4991946

IUPACN-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C17H20N4O5S/c1-13-11-15(18-26-13)17(23)21-10-6-9-20(21)16(22)12-19(2)27(24,25)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeySGLRUBFKQVFWIE-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.89
Rot. Bonds5

About N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide

N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 4991946) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID4991946
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C17H20N4O5S/c1-13-11-15(18-26-13)17(23)21-10-6-9-20(21)16(22)12-19(2)27(24,25)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKeySGLRUBFKQVFWIE-UHFFFAOYSA-N
XLogP0.89
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 4991946) is N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide is Cc1cc(C(=O)N2CCCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)no1.
What is the InChIKey of N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is SGLRUBFKQVFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-13-11-15(18-26-13)17(23)21-10-6-9-20(21)16(22)12-19(2)27(24,25)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide?
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 4991946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).