N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide

C17H19Cl2NO2S — CID 3856862

IUPACN-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-3-4-10-20(14-8-6-5-7-9-14)23(21,22)17-11-13(2)15(18)12-16(17)19/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyZYYCUNYVMNMERX-UHFFFAOYSA-N
MW372.32 g/mol
LogP5.30
Rot. Bonds6

About N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide

N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide (PubChem CID 3856862) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide
PubChem CID3856862
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC NameN-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide
SMILESCCCCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO2S/c1-3-4-10-20(14-8-6-5-7-9-14)23(21,22)17-11-13(2)15(18)12-16(17)19/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyZYYCUNYVMNMERX-UHFFFAOYSA-N
XLogP5.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-chloro-4-fluoro-N-phenylbenzenesulfonamide
CID 3706329
2,4-dichloro-5-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 3739350
2-[butyl-(2,4,5-trichlorophenyl)sulfonylamino]benzoic acid
CID 100820120
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-butyl-3-chloro-N-phenylpropane-1-sulfonamide
CID 43654480
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 34495212
N-butyl-N-phenylethenesulfonamide
CID 129322798
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
CID 23880213
ethyl 4-[butyl-(3-chloro-4-methylphenyl)sulfonylamino]benzoate
CID 3457608
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide (CID 3856862) is N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide is CCCCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl.
What is the InChIKey of N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide?
The InChIKey is ZYYCUNYVMNMERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-3-4-10-20(14-8-6-5-7-9-14)23(21,22)17-11-13(2)15(18)12-16(17)19/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide?
N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dichloro-5-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3856862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).