2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C21H26N2O3S — CID 984583

IUPAC2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C21H26N2O3S/c1-14-13-15(2)17(4)20(16(14)3)27(25,26)22-19-9-7-18(8-10-19)21(24)23-11-5-6-12-23/h7-10,13,22H,5-6,11-12H2,1-4H3
InChIKeyHMSSFGSUDMDLEY-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.96
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 984583) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID984583
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C
InChIInChI=1S/C21H26N2O3S/c1-14-13-15(2)17(4)20(16(14)3)27(25,26)22-19-9-7-18(8-10-19)21(24)23-11-5-6-12-23/h7-10,13,22H,5-6,11-12H2,1-4H3
InChIKeyHMSSFGSUDMDLEY-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 24978665
3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 1250097
Benzene-1,4-disulfonic acid 1-diethylamide 4-{[4-(pyrrolidine-1-carbonyl)-phenyl]-amide}
CID 645656
N-ethyl-4-[(phenylsulfonyl)amino]benzamide
CID 961957
N-(4-(pyrrolidine-1-carbonyl)phenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 984696
N-(2,3-dimethylphenyl)-2-methyl-5-(1-pyrrolidinylcarbonyl)benzenesulfonamide
CID 1242728
N-[2-(1-cyclohexen-1-yl)ethyl]-4-methyl-3-{[(2-methylphenyl)amino]sulfonyl}benzamide
CID 1250561
N-[4-(acetylsulfamoyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 2101183
4-{[(5-tert-butyl-2,3-dimethylphenyl)sulfonyl]amino}-N-(2-methylphenyl)benzamide
CID 2197002
N-[2-(1-cyclohexen-1-yl)ethyl]-3-{[(2,5-dimethylphenyl)amino]sulfonyl}-4-methylbenzamide
CID 2234057

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 984583) is 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is HMSSFGSUDMDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-13-15(2)17(4)20(16(14)3)27(25,26)22-19-9-7-18(8-10-19)21(24)23-11-5-6-12-23/h7-10,13,22H,5-6,11-12H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 984583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).