4-methyl-2-(4-sulfamoylphenoxy)benzoic acid

C14H13NO5S — CID 61395743

IUPAC4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H13NO5S/c1-9-2-7-12(14(16)17)13(8-9)20-10-3-5-11(6-4-10)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWFDKRNBCIJMGKC-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.13
Rot. Bonds4

About 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid

4-methyl-2-(4-sulfamoylphenoxy)benzoic acid (PubChem CID 61395743) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
PubChem CID61395743
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H13NO5S/c1-9-2-7-12(14(16)17)13(8-9)20-10-3-5-11(6-4-10)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWFDKRNBCIJMGKC-UHFFFAOYSA-N
XLogP2.13
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
2,4-bis(4-methylphenoxy)-5-sulfamoylbenzoic acid
CID 21487307
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
3-(4-sulfamoylphenoxy)pyridine-4-carboxylic acid
CID 81443465
4-[5-methyl-2-(4-methyl-2-phenoxyphenyl)phenoxy]benzenesulfonic acid
CID 164811242
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
3-methylsulfonyl-4-(4-sulfamoylphenoxy)benzoic acid
CID 18788755
3-amino-4-(4-methylphenoxy)benzenesulfonic acid
CID 141233792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid?
The IUPAC name of 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid (CID 61395743) is 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid.
What is the SMILES notation for 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid?
The canonical SMILES for 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid?
The InChIKey is WFDKRNBCIJMGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-9-2-7-12(14(16)17)13(8-9)20-10-3-5-11(6-4-10)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid?
4-methyl-2-(4-sulfamoylphenoxy)benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-sulfamoylphenoxy)benzoic acid is sourced from PubChem (CID 61395743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).