2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate

C23H21N2O5S- — CID 7068760

IUPAC2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1
InChIInChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)25-31(29,30)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28)/p-1
InChIKeyCDORHVLQFWYBJB-UHFFFAOYSA-M
MW437.50 g/mol
LogP3.03
Rot. Bonds6

About 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate

2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate (PubChem CID 7068760) has the molecular formula C23H21N2O5S- and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Name2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
PubChem CID7068760
Molecular FormulaC23H21N2O5S-
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1
InChIInChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)25-31(29,30)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28)/p-1
InChIKeyCDORHVLQFWYBJB-UHFFFAOYSA-M
XLogP3.03
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
CID 1333791
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
CID 126415790
2-[[4-(diaminomethylideneazaniumylsulfonyl)phenyl]carbamoyl]benzoate
CID 5084186
1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate (CID 7068760) is 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate is Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1.
What is the InChIKey of 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is CDORHVLQFWYBJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22N2O5S/c1-14-12-15(2)21(16(3)13-14)25-31(29,30)18-10-8-17(9-11-18)24-22(26)19-6-4-5-7-20(19)23(27)28/h4-13,25H,1-3H3,(H,24,26)(H,27,28)/p-1.
What are the key properties of 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 437.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 7068760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).