2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid

C19H24N2O4S — CID 113224421

IUPAC2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H24N2O4S/c1-20(2)12-13-21(15-17-6-4-3-5-7-17)26(24,25)18-10-8-16(9-11-18)14-19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23)
InChIKeyFUQNSLAWDTWYNJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.07
Rot. Bonds9

About 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid

2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid (PubChem CID 113224421) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
PubChem CID113224421
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H24N2O4S/c1-20(2)12-13-21(15-17-6-4-3-5-7-17)26(24,25)18-10-8-16(9-11-18)14-19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23)
InChIKeyFUQNSLAWDTWYNJ-UHFFFAOYSA-N
XLogP2.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 55903709
2-[4-[3-(dimethylamino)propyl-methylsulfamoyl]phenyl]acetic acid
CID 63694485
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]acetic acid
CID 154080670
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid (CID 113224421) is 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid is CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is FUQNSLAWDTWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-20(2)12-13-21(15-17-6-4-3-5-7-17)26(24,25)18-10-8-16(9-11-18)14-19(22)23/h3-11H,12-15H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid?
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 376.48 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 113224421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).