3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide

C17H19Cl2NO3S — CID 4995794

IUPAC3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO3S/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-24(21,22)14-7-8-15(18)16(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyMEXNTYNOKGKGGT-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.36
Rot. Bonds6

About 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide

3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide (PubChem CID 4995794) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
PubChem CID4995794
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO3S/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-24(21,22)14-7-8-15(18)16(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyMEXNTYNOKGKGGT-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide
CID 25047906
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
methyl 2-chloro-5-[1-(2-methoxyphenoxy)propan-2-ylsulfamoyl]benzoate
CID 133261859
6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
4-amino-3-chloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 113288423
3,4-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 21078673
N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 106185125
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide (CID 4995794) is 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide is Cc1cccc(C)c1OCC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
The InChIKey is MEXNTYNOKGKGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c1-11-5-4-6-12(2)17(11)23-10-13(3)20-24(21,22)14-7-8-15(18)16(19)9-14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide?
3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 4995794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).