4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid

C16H16N2O5S — CID 58392578

IUPAC4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15(19)18-13-6-4-12(5-7-13)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyUZHUNDPUVLRZTB-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.61
Rot. Bonds6

About 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid

4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid (PubChem CID 58392578) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
PubChem CID58392578
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15(19)18-13-6-4-12(5-7-13)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyUZHUNDPUVLRZTB-UHFFFAOYSA-N
XLogP1.61
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
4-[[4-(carboxymethylsulfamoyl)phenyl]carbamoyl]benzoic acid
CID 22456332
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-(3,4-dimethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9039784
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N-(3,4-dichlorophenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 34735877

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid (CID 58392578) is 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid is Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid?
The InChIKey is UZHUNDPUVLRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-2-8-14(9-3-11)24(22,23)17-10-15(19)18-13-6-4-12(5-7-13)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid?
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid is sourced from PubChem (CID 58392578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).