2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid

C15H15NO5S — CID 69449790

IUPAC2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
SMILESCOc1cccc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C15H15NO5S/c1-21-13-4-2-3-12(10-13)16-22(19,20)14-7-5-11(6-8-14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyCNIRUWIGHUZAJO-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid

2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid (PubChem CID 69449790) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
PubChem CID69449790
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
SMILESCOc1cccc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C15H15NO5S/c1-21-13-4-2-3-12(10-13)16-22(19,20)14-7-5-11(6-8-14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18)
InChIKeyCNIRUWIGHUZAJO-UHFFFAOYSA-N
XLogP2.12
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 79185383
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid (CID 69449790) is 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid is COc1cccc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is CNIRUWIGHUZAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-21-13-4-2-3-12(10-13)16-22(19,20)14-7-5-11(6-8-14)9-15(17)18/h2-8,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 69449790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).