2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate

C10H8BrNO6S-2 — CID 2321785

IUPAC2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)/p-2
InChIKeyFFJHNJMZPCNIKN-UHFFFAOYSA-L
MW350.15 g/mol
LogP-2.06
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate

2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate (PubChem CID 2321785) has the molecular formula C10H8BrNO6S-2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate
PubChem CID2321785
Molecular FormulaC10H8BrNO6S-2
Molecular Weight350.15 g/mol
Exact Mass348.93
IUPAC Name2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)/p-2
InChIKeyFFJHNJMZPCNIKN-UHFFFAOYSA-L
XLogP-2.06
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-[(4-bromophenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79273818
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776
2-(4-bromophenyl)sulfonylacetate
CID 7744989
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 1092328
4-bromo-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 60765605
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
2-[(4-bromophenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetic acid
CID 56694556
4-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]butanoate
CID 3701532
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate (CID 2321785) is 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate?
The InChIKey is FFJHNJMZPCNIKN-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10BrNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)/p-2.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate?
2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate has a molecular weight of 350.15 g/mol, XLogP of -2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 2321785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).