N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide

C14H21BrN2O3S — CID 114297256

IUPACN-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CBr)CC(C)C)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyWXGDYVKBRJDYEF-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.73
Rot. Bonds7

About N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 114297256) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID114297256
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC NameN-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(CBr)CC(C)C)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyWXGDYVKBRJDYEF-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.73
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

N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-(1-bromo-4-methylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 114297205
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 20931904

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide (CID 114297256) is N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(CBr)CC(C)C)cc1.
What is the InChIKey of N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is WXGDYVKBRJDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-10(2)8-13(9-15)17-21(19,20)14-6-4-12(5-7-14)16-11(3)18/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 377.30 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-bromo-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 114297256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).