N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C17H19Cl2NO2S — CID 19680647

IUPACN-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-12(2)9-13-3-6-15(7-4-13)23(21,22)20-11-14-5-8-16(18)17(19)10-14/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyLQOJEOMWMNOAQV-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.67
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 19680647) has the molecular formula C17H19Cl2NO2S and a molecular weight of 372.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID19680647
Molecular FormulaC17H19Cl2NO2S
Molecular Weight372.32 g/mol
Exact Mass371.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO2S/c1-12(2)9-13-3-6-15(7-4-13)23(21,22)20-11-14-5-8-16(18)17(19)10-14/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyLQOJEOMWMNOAQV-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 23602115

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 19680647) is N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LQOJEOMWMNOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2S/c1-12(2)9-13-3-6-15(7-4-13)23(21,22)20-11-14-5-8-16(18)17(19)10-14/h3-8,10,12,20H,9,11H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 372.32 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 19680647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).