N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C14H18Cl2N2O3S — CID 6493557

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(10-14(19)17-6-2-3-7-17)9-11-4-5-12(15)13(16)8-11/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyIUYXTNRQTLASAJ-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.38
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 6493557) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID6493557
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(10-14(19)17-6-2-3-7-17)9-11-4-5-12(15)13(16)8-11/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyIUYXTNRQTLASAJ-UHFFFAOYSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 6493557) is N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is IUYXTNRQTLASAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-22(20,21)18(10-14(19)17-6-2-3-7-17)9-11-4-5-12(15)13(16)8-11/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 365.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 6493557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).