dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate

C22H24N2O7S — CID 43069411

IUPACdimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C22H24N2O7S/c1-14-7-6-8-17(20(25)24-11-4-5-12-24)19(14)23-32(28,29)18-13-15(21(26)30-2)9-10-16(18)22(27)31-3/h6-10,13,23H,4-5,11-12H2,1-3H3
InChIKeyARNJRRJEUJHKTN-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.61
Rot. Bonds6

About dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 43069411) has the molecular formula C22H24N2O7S and a molecular weight of 460.51 g/mol. Its IUPAC name is dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
PubChem CID43069411
Molecular FormulaC22H24N2O7S
Molecular Weight460.51 g/mol
Exact Mass460.13
IUPAC Namedimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C22H24N2O7S/c1-14-7-6-8-17(20(25)24-11-4-5-12-24)19(14)23-32(28,29)18-13-15(21(26)30-2)9-10-16(18)22(27)31-3/h6-10,13,23H,4-5,11-12H2,1-3H3
InChIKeyARNJRRJEUJHKTN-UHFFFAOYSA-N
XLogP2.61
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55643343
2-[(4-methoxycarbonylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 43069593
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 121380359
2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069576
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate (CID 43069411) is dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1.
What is the InChIKey of dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is ARNJRRJEUJHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7S/c1-14-7-6-8-17(20(25)24-11-4-5-12-24)19(14)23-32(28,29)18-13-15(21(26)30-2)9-10-16(18)22(27)31-3/h6-10,13,23H,4-5,11-12H2,1-3H3.
What are the key properties of dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 460.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 43069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).