2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid

C14H17BrN2O6S — CID 56694556

IUPAC2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O6S/c15-11-1-3-12(4-2-11)24(21,22)17(10-14(19)20)9-13(18)16-5-7-23-8-6-16/h1-4H,5-10H2,(H,19,20)
InChIKeyZEWNEJDGQQXPDJ-UHFFFAOYSA-N
MW421.27 g/mol
LogP0.38
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid

2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid (PubChem CID 56694556) has the molecular formula C14H17BrN2O6S and a molecular weight of 421.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
PubChem CID56694556
Molecular FormulaC14H17BrN2O6S
Molecular Weight421.27 g/mol
Exact Mass420.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O6S/c15-11-1-3-12(4-2-11)24(21,22)17(10-14(19)20)9-13(18)16-5-7-23-8-6-16/h1-4H,5-10H2,(H,19,20)
InChIKeyZEWNEJDGQQXPDJ-UHFFFAOYSA-N
XLogP0.38
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 21373020
4-bromo-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 6459628
N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120651
3-(4-bromophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 15997972
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
N-methoxy-2-[[4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 142260133
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 126199833
4-methyl-N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1305731
2-[(4-bromophenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79273818
2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate
CID 2321785
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid (CID 56694556) is 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid is O=C(O)CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid?
The InChIKey is ZEWNEJDGQQXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O6S/c15-11-1-3-12(4-2-11)24(21,22)17(10-14(19)20)9-13(18)16-5-7-23-8-6-16/h1-4H,5-10H2,(H,19,20).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid?
2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid has a molecular weight of 421.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 56694556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).