(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide

C15H14BrN3O6S — CID 25467195

IUPAC(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O6S/c1-9(15(20)18-11-4-2-10(16)3-5-11)25-14-7-6-12(26(17,23)24)8-13(14)19(21)22/h2-9H,1H3,(H,18,20)(H2,17,23,24)/t9-/m1/s1
InChIKeySHOPOTNWTWFKSK-SECBINFHSA-N
MW444.26 g/mol
LogP2.41
Rot. Bonds6

About (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide

(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide (PubChem CID 25467195) has the molecular formula C15H14BrN3O6S and a molecular weight of 444.26 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
PubChem CID25467195
Molecular FormulaC15H14BrN3O6S
Molecular Weight444.26 g/mol
Exact Mass442.98
IUPAC Name(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O6S/c1-9(15(20)18-11-4-2-10(16)3-5-11)25-14-7-6-12(26(17,23)24)8-13(14)19(21)22/h2-9H,1H3,(H,18,20)(H2,17,23,24)/t9-/m1/s1
InChIKeySHOPOTNWTWFKSK-SECBINFHSA-N
XLogP2.41
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide
CID 42938919
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide (CID 25467195) is (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide is C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide?
The InChIKey is SHOPOTNWTWFKSK-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrN3O6S/c1-9(15(20)18-11-4-2-10(16)3-5-11)25-14-7-6-12(26(17,23)24)8-13(14)19(21)22/h2-9H,1H3,(H,18,20)(H2,17,23,24)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide?
(2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide has a molecular weight of 444.26 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-(2-nitro-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 25467195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).