2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid

C13H20N2O4S — CID 62535155

IUPAC2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-4-9-15(2)20(18,19)14-12-8-6-5-7-11(12)10-13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyRGMSIXGAMAFTNW-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid

2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid (PubChem CID 62535155) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
PubChem CID62535155
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-4-9-15(2)20(18,19)14-12-8-6-5-7-11(12)10-13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyRGMSIXGAMAFTNW-UHFFFAOYSA-N
XLogP1.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-2-phenylacetic acid
CID 103862421
3-[[butyl(methyl)sulfamoyl]amino]-4-methoxybenzoic acid
CID 63742420
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid (CID 62535155) is 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid is CCCCN(C)S(=O)(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid?
The InChIKey is RGMSIXGAMAFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-9-15(2)20(18,19)14-12-8-6-5-7-11(12)10-13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid?
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62535155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).