4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid

C16H17NO5S — CID 15944036

IUPAC4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)c1C
InChIInChI=1S/C16H17NO5S/c1-10-11(2)15(9-8-14(10)22-3)23(20,21)17-13-6-4-12(5-7-13)16(18)19/h4-9,17H,1-3H3,(H,18,19)
InChIKeyGZMLMVARDZJLKY-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid

4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid (PubChem CID 15944036) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
PubChem CID15944036
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)c1C
InChIInChI=1S/C16H17NO5S/c1-10-11(2)15(9-8-14(10)22-3)23(20,21)17-13-6-4-12(5-7-13)16(18)19/h4-9,17H,1-3H3,(H,18,19)
InChIKeyGZMLMVARDZJLKY-UHFFFAOYSA-N
XLogP2.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 39845076
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100506208
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 1118035
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
CID 99780414

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid (CID 15944036) is 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid?
The InChIKey is GZMLMVARDZJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-10-11(2)15(9-8-14(10)22-3)23(20,21)17-13-6-4-12(5-7-13)16(18)19/h4-9,17H,1-3H3,(H,18,19).
What are the key properties of 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid?
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid has a molecular weight of 335.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).