(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide

C12H15BrN2O4S — CID 95970135

IUPAC(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
SMILESCC[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C12H15BrN2O4S/c1-3-11(13)12(17)14-9-4-6-10(7-5-9)20(18,19)15-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKeyCPDKMTMLQLGNQX-LLVKDONJSA-N
MW363.23 g/mol
LogP1.62
Rot. Bonds5

About (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide

(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide (PubChem CID 95970135) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
PubChem CID95970135
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
SMILESCC[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C12H15BrN2O4S/c1-3-11(13)12(17)14-9-4-6-10(7-5-9)20(18,19)15-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1
InChIKeyCPDKMTMLQLGNQX-LLVKDONJSA-N
XLogP1.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
(2S)-N-[4-(acetylsulfamoyl)phenyl]-2-ethylhexanamide
CID 7801539
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
CID 2437234
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide?
The IUPAC name of (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide (CID 95970135) is (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide.
What is the SMILES notation for (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide?
The canonical SMILES for (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide is CC[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide?
The InChIKey is CPDKMTMLQLGNQX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-3-11(13)12(17)14-9-4-6-10(7-5-9)20(18,19)15-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,17)(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide?
(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide has a molecular weight of 363.23 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide is sourced from PubChem (CID 95970135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).