2-[2-(diethylsulfamoylamino)phenyl]acetic acid

C12H18N2O4S — CID 62535925

IUPAC2-[2-(diethylsulfamoylamino)phenyl]acetic acid
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)13-11-8-6-5-7-10(11)9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyREYXNSJGBCOSIG-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.31
Rot. Bonds7

About 2-[2-(diethylsulfamoylamino)phenyl]acetic acid

2-[2-(diethylsulfamoylamino)phenyl]acetic acid (PubChem CID 62535925) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylsulfamoylamino)phenyl]acetic acid
PubChem CID62535925
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-(diethylsulfamoylamino)phenyl]acetic acid
SMILESCCN(CC)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)13-11-8-6-5-7-10(11)9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyREYXNSJGBCOSIG-UHFFFAOYSA-N
XLogP1.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
1-amino-2-(diethylsulfamoylamino)benzene
CID 28783371
2-(diethylsulfamoylamino)benzenecarbothioamide
CID 28785092
1-cyano-2-(diethylsulfamoylamino)benzene
CID 28785032
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
CID 43715678
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
2-[2-(tert-butylamino)phenyl]acetic acid
CID 22714206
N-[[2-[[ethyl(methyl)sulfamoyl]amino]phenyl]methyl]methanesulfonamide
CID 167823495
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(diethylsulfamoylamino)phenyl]acetic acid (CID 62535925) is 2-[2-(diethylsulfamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(diethylsulfamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(diethylsulfamoylamino)phenyl]acetic acid is CCN(CC)S(=O)(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(diethylsulfamoylamino)phenyl]acetic acid?
The InChIKey is REYXNSJGBCOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)13-11-8-6-5-7-10(11)9-12(15)16/h5-8,13H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(diethylsulfamoylamino)phenyl]acetic acid?
2-[2-(diethylsulfamoylamino)phenyl]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylsulfamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62535925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).