N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide

C11H15Cl2NO2S — CID 19680731

IUPACN-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyZHDATTKWKCLYBA-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide

N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide (PubChem CID 19680731) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
PubChem CID19680731
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyZHDATTKWKCLYBA-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
4-amino-N-butylsulfonyl-3-[(2,4-dichlorophenyl)methylamino]benzamide
CID 18315556
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide
CID 75447876
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]butane-1-sulfonamide
CID 110781854
N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide (CID 19680731) is N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide?
The InChIKey is ZHDATTKWKCLYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-3-6-17(15,16)14-8-9-4-5-10(12)7-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide?
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide has a molecular weight of 296.22 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 19680731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).