N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide

C10H14BrNO2S — CID 114296939

IUPACN-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC(CBr)Cc1ccccc1
InChIInChI=1S/C10H14BrNO2S/c1-15(13,14)12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyKCJNJHMSZLLHMA-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.54
Rot. Bonds5

About N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide

N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide (PubChem CID 114296939) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
PubChem CID114296939
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
SMILESCS(=O)(=O)NC(CBr)Cc1ccccc1
InChIInChI=1S/C10H14BrNO2S/c1-15(13,14)12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyKCJNJHMSZLLHMA-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 113271623
N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]methanesulfonamide
CID 10408506
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 114296967
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
(2R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-2-phenylacetamide
CID 10713679
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970
N-(1-chloro-3-phenylpropan-2-yl)ethanesulfonamide
CID 65030823
ethane;3-(methylamino)-4-phenylbutanal
CID 91231416
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
CID 22867971
chloromethyl (2S)-2-(methanesulfonamido)-3-phenylpropanoate
CID 174358903

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide (CID 114296939) is N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide is CS(=O)(=O)NC(CBr)Cc1ccccc1.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide?
The InChIKey is KCJNJHMSZLLHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-15(13,14)12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3.
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide?
N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 114296939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).