N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide

C11H14BrNO2S — CID 121219829

IUPACN-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
SMILESC=C(Br)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14BrNO2S/c1-9-4-6-11(7-5-9)16(14,15)13(3)8-10(2)12/h4-7H,2,8H2,1,3H3
InChIKeyKFVCBBSSQQDAJC-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.52
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide

N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 121219829) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
PubChem CID121219829
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide
SMILESC=C(Br)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14BrNO2S/c1-9-4-6-11(7-5-9)16(14,15)13(3)8-10(2)12/h4-7H,2,8H2,1,3H3
InChIKeyKFVCBBSSQQDAJC-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-methyl-1-[methyl-(4-methylphenyl)sulfonylamino]methanamine oxide
CID 163689251
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 163210393
1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide (CID 121219829) is N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide is C=C(Br)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is KFVCBBSSQQDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-9-4-6-11(7-5-9)16(14,15)13(3)8-10(2)12/h4-7H,2,8H2,1,3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide?
N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 121219829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).