(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide

C16H15BrN2O5S — CID 124553698

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15BrN2O5S/c1-10(19-25(21,22)13-5-2-11(17)3-6-13)16(20)18-12-4-7-14-15(8-12)24-9-23-14/h2-8,10,19H,9H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyJHSMZDYLKQJULP-SNVBAGLBSA-N
MW427.28 g/mol
LogP2.48
Rot. Bonds5

About (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide (PubChem CID 124553698) has the molecular formula C16H15BrN2O5S and a molecular weight of 427.28 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide
PubChem CID124553698
Molecular FormulaC16H15BrN2O5S
Molecular Weight427.28 g/mol
Exact Mass425.99
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H15BrN2O5S/c1-10(19-25(21,22)13-5-2-11(17)3-6-13)16(20)18-12-4-7-14-15(8-12)24-9-23-14/h2-8,10,19H,9H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyJHSMZDYLKQJULP-SNVBAGLBSA-N
XLogP2.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7453372
2-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 55350091
(2S)-N-(3-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]propanamide
CID 41330687
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 41373401
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 50740332
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
N-(1,3-benzodioxol-5-yl)-4-[[(2R)-butan-2-yl]sulfamoyl]benzamide
CID 9313872
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide (CID 124553698) is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
The InChIKey is JHSMZDYLKQJULP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15BrN2O5S/c1-10(19-25(21,22)13-5-2-11(17)3-6-13)16(20)18-12-4-7-14-15(8-12)24-9-23-14/h2-8,10,19H,9H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide has a molecular weight of 427.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 124553698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).