2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate

C16H11NO7S-2 — CID 7154600

IUPAC2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate
SMILESO=C([O-])CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H13NO7S/c18-14(19)9-25(23,24)11-5-3-4-10(8-11)15(20)17-13-7-2-1-6-12(13)16(21)22/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2
InChIKeyGZXALMKNUSPIHP-UHFFFAOYSA-L
MW361.33 g/mol
LogP-1.17
Rot. Bonds6

About 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate

2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate (PubChem CID 7154600) has the molecular formula C16H11NO7S-2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate
PubChem CID7154600
Molecular FormulaC16H11NO7S-2
Molecular Weight361.33 g/mol
Exact Mass361.03
IUPAC Name2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate
SMILESO=C([O-])CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H13NO7S/c18-14(19)9-25(23,24)11-5-3-4-10(8-11)15(20)17-13-7-2-1-6-12(13)16(21)22/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2
InChIKeyGZXALMKNUSPIHP-UHFFFAOYSA-L
XLogP-1.17
TPSA143.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
zinc bis(2-benzamidobenzoate)
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2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
CID 45340807
2-[[4-(4-chlorophenyl)sulfonylbenzoyl]amino]benzoate
CID 2252777
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 6949581
2-(2,1,3-benzothiadiazole-5-carbonylamino)benzoate
CID 6919302
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate?
The IUPAC name of 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate (CID 7154600) is 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate.
What is the SMILES notation for 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate?
The canonical SMILES for 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate is O=C([O-])CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate?
The InChIKey is GZXALMKNUSPIHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13NO7S/c18-14(19)9-25(23,24)11-5-3-4-10(8-11)15(20)17-13-7-2-1-6-12(13)16(21)22/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)/p-2.
What are the key properties of 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate?
2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate has a molecular weight of 361.33 g/mol, XLogP of -1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate is sourced from PubChem (CID 7154600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).