3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide

C15H21ClN2O4S — CID 1243261

IUPAC3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-11(2)17-23(20,21)12-5-6-14(13(16)9-12)22-10-15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyCTHPJONOELMCMJ-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.03
Rot. Bonds6

About 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide

3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide (PubChem CID 1243261) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
PubChem CID1243261
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O4S/c1-11(2)17-23(20,21)12-5-6-14(13(16)9-12)22-10-15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3
InChIKeyCTHPJONOELMCMJ-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide (CID 1243261) is 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is CTHPJONOELMCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11(2)17-23(20,21)12-5-6-14(13(16)9-12)22-10-15(19)18-7-3-4-8-18/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1243261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).