[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide

C10H12BrNO2S — CID 118140975

IUPAC[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide
SMILESC=C(CBr)c1ccccc1CS(N)(=O)=O
InChIInChI=1S/C10H12BrNO2S/c1-8(6-11)10-5-3-2-4-9(10)7-15(12,13)14/h2-5H,1,6-7H2,(H2,12,13,14)
InChIKeyWYDZLHZKWUQDBQ-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.88
Rot. Bonds4

About [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide

[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide (PubChem CID 118140975) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide
PubChem CID118140975
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide
SMILESC=C(CBr)c1ccccc1CS(N)(=O)=O
InChIInChI=1S/C10H12BrNO2S/c1-8(6-11)10-5-3-2-4-9(10)7-15(12,13)14/h2-5H,1,6-7H2,(H2,12,13,14)
InChIKeyWYDZLHZKWUQDBQ-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.88
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

2-(3-bromoprop-1-en-2-yl)phenol
CID 142533452
[2-(acetamidocarbamoyl)phenyl]methanesulfonamide
CID 117058649
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride
CID 117269099
2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
CID 54347733
[2-(methanesulfonamido)phenyl]methanesulfonamide
CID 170547357
1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
(2,3-dinitrophenyl)methanesulfonamide
CID 90109286

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide?
The IUPAC name of [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide (CID 118140975) is [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide is C=C(CBr)c1ccccc1CS(N)(=O)=O.
What is the InChIKey of [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide?
The InChIKey is WYDZLHZKWUQDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-8(6-11)10-5-3-2-4-9(10)7-15(12,13)14/h2-5H,1,6-7H2,(H2,12,13,14).
What are the key properties of [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide?
[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 118140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).