4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid

C15H15NO5S — CID 139945309

IUPAC4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)O)cc1C
InChIInChI=1S/C15H15NO5S/c1-10-9-11(22(18,19)20)7-8-13(10)16-15(17)12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyCKQOJJFOWOIQEX-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds4

About 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid

4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid (PubChem CID 139945309) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid.

Molecular Properties

Compound Name4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
PubChem CID139945309
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)O)cc1C
InChIInChI=1S/C15H15NO5S/c1-10-9-11(22(18,19)20)7-8-13(10)16-15(17)12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyCKQOJJFOWOIQEX-UHFFFAOYSA-N
XLogP2.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
3-chloro-4-[(2,6-dimethoxybenzoyl)amino]benzenesulfonic acid
CID 139945414
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
4-[(2-methoxybenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139945406
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-methoxybenzamide
CID 7627668
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid?
The IUPAC name of 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid (CID 139945309) is 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid.
What is the SMILES notation for 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid?
The canonical SMILES for 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid is COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)O)cc1C.
What is the InChIKey of 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid?
The InChIKey is CKQOJJFOWOIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-9-11(22(18,19)20)7-8-13(10)16-15(17)12-5-3-4-6-14(12)21-2/h3-9H,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid?
4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid has a molecular weight of 321.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxybenzoyl)amino]-3-methylbenzenesulfonic acid is sourced from PubChem (CID 139945309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).