N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

C17H20Cl2N2O2S — CID 70939392

IUPACN-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h4-10,20-21H,11H2,1-3H3
InChIKeyWPMBVLCPLLPSDT-UHFFFAOYSA-N
MW387.33 g/mol
LogP5.15
Rot. Bonds5

About N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939392) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID70939392
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC NameN-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h4-10,20-21H,11H2,1-3H3
InChIKeyWPMBVLCPLLPSDT-UHFFFAOYSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.33
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
2-methyl-N-[4-[[(5-methyl-2-oxochromen-6-yl)amino]methyl]phenyl]propane-2-sulfonamide
CID 89118473
N-[4-[[(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939871
2-[4-[(2,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539227
N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939150
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589
N-[4-(2-bromoethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 114296474
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939562
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62760795

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (CID 70939392) is N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is WPMBVLCPLLPSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h4-10,20-21H,11H2,1-3H3.
What are the key properties of N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 387.33 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).