(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate

C14H11BrNO4S- — CID 6973917

IUPAC(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
SMILESO=C([O-])[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-6-10(7-9-11)13(14(17)18)16-21(19,20)12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m1/s1
InChIKeyYIGVMRNPMFZMSX-CYBMUJFWSA-M
MW369.22 g/mol
LogP1.22
Rot. Bonds5

About (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate

(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate (PubChem CID 6973917) has the molecular formula C14H11BrNO4S- and a molecular weight of 369.22 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
PubChem CID6973917
Molecular FormulaC14H11BrNO4S-
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate
SMILESO=C([O-])[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-6-10(7-9-11)13(14(17)18)16-21(19,20)12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m1/s1
InChIKeyYIGVMRNPMFZMSX-CYBMUJFWSA-M
XLogP1.22
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 154634382
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 6933555
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
(2R)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate
CID 2340139
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
N-[(1R)-1-(4-chlorophenyl)-2-methylidene-3-oxobutyl]benzenesulfonamide
CID 102434392
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate?
The IUPAC name of (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate (CID 6973917) is (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate.
What is the SMILES notation for (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate?
The canonical SMILES for (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate is O=C([O-])[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate?
The InChIKey is YIGVMRNPMFZMSX-CYBMUJFWSA-M. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-8-6-10(7-9-11)13(14(17)18)16-21(19,20)12-4-2-1-3-5-12/h1-9,13,16H,(H,17,18)/p-1/t13-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate?
(2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate has a molecular weight of 369.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonamido)-2-(4-bromophenyl)acetate is sourced from PubChem (CID 6973917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).