(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide

C10H13BrN2O3S — CID 94883529

IUPAC(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
SMILESCC[C@@H](Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-2-9(11)10(14)13-7-3-5-8(6-4-7)17(12,15)16/h3-6,9H,2H2,1H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1
InChIKeyDUHUSKXYADFWAD-SECBINFHSA-N
MW321.20 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide

(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide (PubChem CID 94883529) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
PubChem CID94883529
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
SMILESCC[C@@H](Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H13BrN2O3S/c1-2-9(11)10(14)13-7-3-5-8(6-4-7)17(12,15)16/h3-6,9H,2H2,1H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1
InChIKeyDUHUSKXYADFWAD-SECBINFHSA-N
XLogP1.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
CID 95970135
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
CID 162395521
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide (CID 94883529) is (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide is CC[C@@H](Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is DUHUSKXYADFWAD-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-2-9(11)10(14)13-7-3-5-8(6-4-7)17(12,15)16/h3-6,9H,2H2,1H3,(H,13,14)(H2,12,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide?
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 321.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 94883529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).