N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C20H23ClN2O3S — CID 999754

IUPACN-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-5-8-18(9-6-15)27(25,26)23(14-20(24)22-11-3-4-12-22)19-10-7-17(21)13-16(19)2/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyPTTDLTLRJWMDEC-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.77
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 999754) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID999754
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-5-8-18(9-6-15)27(25,26)23(14-20(24)22-11-3-4-12-22)19-10-7-17(21)13-16(19)2/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyPTTDLTLRJWMDEC-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 999754) is N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is PTTDLTLRJWMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-5-8-18(9-6-15)27(25,26)23(14-20(24)22-11-3-4-12-22)19-10-7-17(21)13-16(19)2/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 406.94 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 999754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).