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

C14H20BrNO2S — CID 105361785

IUPACN-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
SMILESO=S(=O)(NC(CBr)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C14H20BrNO2S/c15-11-13(10-12-6-2-1-3-7-12)16-19(17,18)14-8-4-5-9-14/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyNWQZTORVWSCCSH-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.85
Rot. Bonds6

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

N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide (PubChem CID 105361785) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
PubChem CID105361785
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
SMILESO=S(=O)(NC(CBr)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C14H20BrNO2S/c15-11-13(10-12-6-2-1-3-7-12)16-19(17,18)14-8-4-5-9-14/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyNWQZTORVWSCCSH-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.85
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
CID 114296939
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-(1-bromo-3-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 113271623
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1,1-dioxothiolane-3-sulfonamide
CID 107861485
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 114296967
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
N-(1-bromopropan-2-yl)cyclohexanesulfonamide
CID 114294295
N-(2-bromo-1-phenylethyl)-1,1-dioxothiane-4-sulfonamide
CID 114296825

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide (CID 105361785) is N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide is O=S(=O)(NC(CBr)Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide?
The InChIKey is NWQZTORVWSCCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c15-11-13(10-12-6-2-1-3-7-12)16-19(17,18)14-8-4-5-9-14/h1-3,6-7,13-14,16H,4-5,8-11H2.
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide?
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 2.85, 6 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)cyclopentanesulfonamide is sourced from PubChem (CID 105361785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).