4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide

C17H20ClNO2S — CID 52852570

IUPAC4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-13-5-3-6-14(2)17(13)19-22(20,21)16-10-8-15(9-11-16)7-4-12-18/h3,5-6,8-11,19H,4,7,12H2,1-2H3
InChIKeyOWMPKHDSUJYWFN-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.28
Rot. Bonds6

About 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide

4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide (PubChem CID 52852570) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide
PubChem CID52852570
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C17H20ClNO2S/c1-13-5-3-6-14(2)17(13)19-22(20,21)16-10-8-15(9-11-16)7-4-12-18/h3,5-6,8-11,19H,4,7,12H2,1-2H3
InChIKeyOWMPKHDSUJYWFN-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.28
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

4-(3-chloropropyl)-N-phenylbenzenesulfonamide
CID 28719709
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
4-(3-chloropropyl)-N-[4-(cyanomethoxy)phenyl]benzenesulfonamide
CID 60621668
4-butyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771728
N-(2-amino-6-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185502
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide (CID 52852570) is 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide?
The InChIKey is OWMPKHDSUJYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-13-5-3-6-14(2)17(13)19-22(20,21)16-10-8-15(9-11-16)7-4-12-18/h3,5-6,8-11,19H,4,7,12H2,1-2H3.
What are the key properties of 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide?
4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-(2,6-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 52852570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).