N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H28N2O3S — CID 2249244

IUPACN,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-5-13-19(14-6-4-2)24(22,23)17-11-9-16(10-12-17)20-15-7-8-18(20)21/h9-12H,3-8,13-15H2,1-2H3
InChIKeyMFGQTJZECGAQGC-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.40
Rot. Bonds9

About N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 2249244) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID2249244
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-5-13-19(14-6-4-2)24(22,23)17-11-9-16(10-12-17)20-15-7-8-18(20)21/h9-12H,3-8,13-15H2,1-2H3
InChIKeyMFGQTJZECGAQGC-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-pentyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 19614312
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
4-[3-[ethyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoylamino]benzamide
CID 31829154
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 19614574
1-(4-heptanoylphenyl)pyrrolidin-2-one
CID 114752117
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63946908

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 2249244) is N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is MFGQTJZECGAQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-5-13-19(14-6-4-2)24(22,23)17-11-9-16(10-12-17)20-15-7-8-18(20)21/h9-12H,3-8,13-15H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 2249244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).