4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C20H22N2O4S — CID 43069430

IUPAC4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-6-5-7-18(20(24)22-12-3-4-13-22)19(14)21-27(25,26)17-10-8-16(9-11-17)15(2)23/h5-11,21H,3-4,12-13H2,1-2H3
InChIKeyYGMDNHUZQCWDBZ-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.23
Rot. Bonds5

About 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 43069430) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID43069430
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-6-5-7-18(20(24)22-12-3-4-13-22)19(14)21-27(25,26)17-10-8-16(9-11-17)15(2)23/h5-11,21H,3-4,12-13H2,1-2H3
InChIKeyYGMDNHUZQCWDBZ-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 43069411
4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 39837850
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43069476
4-[(4-methylphenyl)sulfonylmethyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 112832711
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
3-methyl-2-[[4-(methylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 39839388
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 43069430) is 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is YGMDNHUZQCWDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-6-5-7-18(20(24)22-12-3-4-13-22)19(14)21-27(25,26)17-10-8-16(9-11-17)15(2)23/h5-11,21H,3-4,12-13H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43069430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).