4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide

C11H14ClNO2S — CID 54136766

IUPAC4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C=CCCl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-13(2)16(14,15)11-7-5-10(6-8-11)4-3-9-12/h3-8H,9H2,1-2H3
InChIKeyNYGOLSUNKDSLNL-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.19
Rot. Bonds4

About 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide

4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 54136766) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide
PubChem CID54136766
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C=CCCl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-13(2)16(14,15)11-7-5-10(6-8-11)4-3-9-12/h3-8H,9H2,1-2H3
InChIKeyNYGOLSUNKDSLNL-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloroprop-1-enyl)-N,N-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

2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
4-[(E)-3-[4-(dimethylsulfamoyl)phenyl]-3-oxoprop-1-enyl]benzoic acid
CID 6393649
CID 90391328
CID 90391328
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
(E)-N-[(2-chlorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 39896084
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9328746
4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63389826
N-methyl-4-[(E)-3-oxobut-1-enyl]-N-phosphanylbenzenesulfonamide
CID 170239284
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
4-(3-chloroprop-1-enyl)benzoic acid
CID 169477180
N,N-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2422630
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide (CID 54136766) is 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C=CCCl)cc1.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NYGOLSUNKDSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13(2)16(14,15)11-7-5-10(6-8-11)4-3-9-12/h3-8H,9H2,1-2H3.
What are the key properties of 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide?
4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 259.76 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 54136766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).