3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid

C16H15NO6S — CID 24502065

IUPAC3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C16H15NO6S/c1-10-7-8-11(15(18)19)9-14(10)24(21,22)17-13-6-4-3-5-12(13)16(20)23-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyUTUIHWMKZTTWDH-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.28
Rot. Bonds5

About 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid

3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid (PubChem CID 24502065) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
PubChem CID24502065
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Name3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C16H15NO6S/c1-10-7-8-11(15(18)19)9-14(10)24(21,22)17-13-6-4-3-5-12(13)16(20)23-2/h3-9,17H,1-2H3,(H,18,19)
InChIKeyUTUIHWMKZTTWDH-UHFFFAOYSA-N
XLogP2.28
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
methyl 3-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]-2-methylbenzoate
CID 35540100
methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
methyl 4-methyl-3-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 35507391
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid (CID 24502065) is 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid is COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid?
The InChIKey is UTUIHWMKZTTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-10-7-8-11(15(18)19)9-14(10)24(21,22)17-13-6-4-3-5-12(13)16(20)23-2/h3-9,17H,1-2H3,(H,18,19).
What are the key properties of 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid?
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid has a molecular weight of 349.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 24502065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).