N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C16H24N2O4S — CID 2949509

IUPACN-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13(2)17-23(20,21)15-8-6-14(7-9-15)22-12-16(19)18-10-4-5-11-18/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyBMROXQUNOIUVTJ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.76
Rot. Bonds7

About N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 2949509) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID2949509
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13(2)17-23(20,21)15-8-6-14(7-9-15)22-12-16(19)18-10-4-5-11-18/h6-9,13,17H,3-5,10-12H2,1-2H3
InChIKeyBMROXQUNOIUVTJ-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
1-(4-Butoxy-benzenesulfonyl)-4-(2-hydroxy-propionylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10502708
1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10670246
4-(2-Hydroxy-propionylamino)-1-(4-propoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10787997
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 2949509) is N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is BMROXQUNOIUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-13(2)17-23(20,21)15-8-6-14(7-9-15)22-12-16(19)18-10-4-5-11-18/h6-9,13,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 2949509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).