N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

C19H30N2O3S — CID 110611274

IUPACN-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)CCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)12-5-13-20-25(23,24)17-9-7-16(8-10-17)11-15-21-14-4-6-18(21)22/h7-10,20H,4-6,11-15H2,1-3H3
InChIKeyNIIIPQKRVTYYHJ-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.96
Rot. Bonds8

About N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide

N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 110611274) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID110611274
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILESCC(C)(C)CCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C19H30N2O3S/c1-19(2,3)12-5-13-20-25(23,24)17-9-7-16(8-10-17)11-15-21-14-4-6-18(21)22/h7-10,20H,4-6,11-15H2,1-3H3
InChIKeyNIIIPQKRVTYYHJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide (CID 110611274) is N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is CC(C)(C)CCCNS(=O)(=O)c1ccc(CCN2CCCC2=O)cc1.
What is the InChIKey of N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is NIIIPQKRVTYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-19(2,3)12-5-13-20-25(23,24)17-9-7-16(8-10-17)11-15-21-14-4-6-18(21)22/h7-10,20H,4-6,11-15H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide?
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110611274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).