N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide

C12H16BrNO2S — CID 114294608

IUPACN-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC(Br)C1CC1
InChIInChI=1S/C12H16BrNO2S/c13-12(11-6-7-11)8-14-17(15,16)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyPGWQVCBASRUHIM-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.28
Rot. Bonds6

About N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide

N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide (PubChem CID 114294608) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
PubChem CID114294608
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCC(Br)C1CC1
InChIInChI=1S/C12H16BrNO2S/c13-12(11-6-7-11)8-14-17(15,16)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyPGWQVCBASRUHIM-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.28
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-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(2-bromo-2-cyclopropylethyl)methanesulfonamide
CID 114294506
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 47068811
N-(3-bromobutyl)-1-phenylmethanesulfonamide
CID 114297745
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
CID 51249164
N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
CID 65032886
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide (CID 114294608) is N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide?
The InChIKey is PGWQVCBASRUHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-12(11-6-7-11)8-14-17(15,16)9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide?
N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 114294608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).