4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid

C16H17NO5S — CID 118707086

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H17NO5S/c1-10-8-12(16(18)19)9-11(2)15(10)17-23(20,21)14-6-4-13(22-3)5-7-14/h4-9,17H,1-3H3,(H,18,19)
InChIKeyWXVOVPNOXACPAD-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid

4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid (PubChem CID 118707086) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid
PubChem CID118707086
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C(=O)O)cc2C)cc1
InChIInChI=1S/C16H17NO5S/c1-10-8-12(16(18)19)9-11(2)15(10)17-23(20,21)14-6-4-13(22-3)5-7-14/h4-9,17H,1-3H3,(H,18,19)
InChIKeyWXVOVPNOXACPAD-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid (CID 118707086) is 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid is COc1ccc(S(=O)(=O)Nc2c(C)cc(C(=O)O)cc2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid?
The InChIKey is WXVOVPNOXACPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-10-8-12(16(18)19)9-11(2)15(10)17-23(20,21)14-6-4-13(22-3)5-7-14/h4-9,17H,1-3H3,(H,18,19).
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid?
4-[(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic 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-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 118707086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).