N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H24N2O3S — CID 990949

IUPACN-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)cc(N3CCCC3=O)cc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-8-14(2)10-17(9-13)21-26(24,25)20-15(3)11-18(12-16(20)4)22-7-5-6-19(22)23/h8-12,21H,5-7H2,1-4H3
InChIKeyRTGNHLMPKAHYLX-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.85
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 990949) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID990949
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2c(C)cc(N3CCCC3=O)cc2C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-8-14(2)10-17(9-13)21-26(24,25)20-15(3)11-18(12-16(20)4)22-7-5-6-19(22)23/h8-12,21H,5-7H2,1-4H3
InChIKeyRTGNHLMPKAHYLX-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 990949) is N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2c(C)cc(N3CCCC3=O)cc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RTGNHLMPKAHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-8-14(2)10-17(9-13)21-26(24,25)20-15(3)11-18(12-16(20)4)22-7-5-6-19(22)23/h8-12,21H,5-7H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 990949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).