N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide

C20H24N2O3S — CID 121380359

IUPACN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O3S/c1-3-16-10-8-9-15(2)19(16)21-26(24,25)18-12-5-4-11-17(18)20(23)22-13-6-7-14-22/h4-5,8-12,21H,3,6-7,13-14H2,1-2H3
InChIKeyXGUSFOUWFXPGCE-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.59
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 121380359) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID121380359
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O3S/c1-3-16-10-8-9-15(2)19(16)21-26(24,25)18-12-5-4-11-17(18)20(23)22-13-6-7-14-22/h4-5,8-12,21H,3,6-7,13-14H2,1-2H3
InChIKeyXGUSFOUWFXPGCE-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
N-(2-ethyl-6-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126547
N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 661480
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 43069411
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 121380359) is N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccccc1C(=O)N1CCCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XGUSFOUWFXPGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-10-8-9-15(2)19(16)21-26(24,25)18-12-5-4-11-17(18)20(23)22-13-6-7-14-22/h4-5,8-12,21H,3,6-7,13-14H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 121380359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).