1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

C17H19Cl2NO3S — CID 92680578

IUPAC1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJHIUYDVIMATQHA-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.40
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (PubChem CID 92680578) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
PubChem CID92680578
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
SMILESCC(C)Oc1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJHIUYDVIMATQHA-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 28576901
1-(2-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide
CID 30386508
2,6-difluoro-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46595987
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
3-chloro-2-[(4-propan-2-yloxyanilino)methyl]phenol
CID 79479384
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845154
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide (CID 92680578) is 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is CC(C)Oc1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
The InChIKey is JHIUYDVIMATQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c1-12(2)23-14-8-6-13(7-9-14)10-20-24(21,22)11-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 92680578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).