4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C14H20N2O4S — CID 5083215

IUPAC4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-12-4-6-13(7-5-12)21(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyLCKLDPPJKJWMDN-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.99
Rot. Bonds6

About 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 5083215) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID5083215
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-12-4-6-13(7-5-12)21(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyLCKLDPPJKJWMDN-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
4-ethoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 3331081
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55330245
N-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 35592625
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 5083215) is 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is LCKLDPPJKJWMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-12-4-6-13(7-5-12)21(18,19)15-9-8-14(17)16-10-2-3-11-16/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 5083215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).