N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline

C10H12BrNO2S — CID 60871653

IUPACN-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
SMILESC=C(Br)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H12BrNO2S/c1-8(11)7-12-9-3-5-10(6-4-9)15(2,13)14/h3-6,12H,1,7H2,2H3
InChIKeyWXKFLJQOBCPDIJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.41
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline

N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline (PubChem CID 60871653) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
PubChem CID60871653
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
SMILESC=C(Br)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H12BrNO2S/c1-8(11)7-12-9-3-5-10(6-4-9)15(2,13)14/h3-6,12H,1,7H2,2H3
InChIKeyWXKFLJQOBCPDIJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbut-3-enyl)-4-methylsulfonylaniline
CID 114471944
ethyl 2-[(4-methylsulfonylanilino)methyl]prop-2-enoate
CID 103233948
N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 28579520
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
CID 60652870
methyl 2,2-dimethyl-3-(4-methylsulfonylanilino)propanoate
CID 79629519

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline (CID 60871653) is N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline is C=C(Br)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline?
The InChIKey is WXKFLJQOBCPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-8(11)7-12-9-3-5-10(6-4-9)15(2,13)14/h3-6,12H,1,7H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline?
N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline has a molecular weight of 290.18 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline is sourced from PubChem (CID 60871653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).