N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide

C15H22BrNO2S — CID 154717635

IUPACN-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide
SMILESCCCCCC/C(=C/Br)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H22BrNO2S/c1-3-4-5-7-12-15(13-16)17(20(2,18)19)14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13-
InChIKeyQPUZSRVIZNRVEX-SQFISAMPSA-N
MW360.32 g/mol
LogP4.66
Rot. Bonds8

About N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide

N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide (PubChem CID 154717635) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide
PubChem CID154717635
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide
SMILESCCCCCC/C(=C/Br)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H22BrNO2S/c1-3-4-5-7-12-15(13-16)17(20(2,18)19)14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13-
InChIKeyQPUZSRVIZNRVEX-SQFISAMPSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-ethyl-N-phenyloctadecanamide
CID 151424183
1,1'-biphenyl;heptadecan-9-one
CID 19613965
1-methylsulfonyl-1-phenylurea
CID 67458693
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CID 60831115
N-[(E)-1-chlorohexadec-1-en-2-yl]-N-[5-[(E)-2-chloro-1-phenylethenoxy]naphthalen-1-yl]methanesulfonamide
CID 132939137
1-phenylheptadecan-1-one
CID 577626
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CID 50899377
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CID 150503307

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide (CID 154717635) is N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide is CCCCCC/C(=C/Br)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide?
The InChIKey is QPUZSRVIZNRVEX-SQFISAMPSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-3-4-5-7-12-15(13-16)17(20(2,18)19)14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13-.
What are the key properties of N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide?
N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-bromooct-1-en-2-yl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 154717635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).