3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide

C17H20ClNO3S — CID 71810536

IUPAC3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C
InChIInChI=1S/C17H20ClNO3S/c1-12-7-4-5-8-14(12)16(22-3)11-19-23(20,21)17-10-6-9-15(18)13(17)2/h4-10,16,19H,11H2,1-3H3
InChIKeyPBFPFFRWZIYUDH-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.62
Rot. Bonds6

About 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide

3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 71810536) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID71810536
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C
InChIInChI=1S/C17H20ClNO3S/c1-12-7-4-5-8-14(12)16(22-3)11-19-23(20,21)17-10-6-9-15(18)13(17)2/h4-10,16,19H,11H2,1-3H3
InChIKeyPBFPFFRWZIYUDH-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 97417781
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 99698254

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide (CID 71810536) is 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1cccc(Cl)c1C)c1ccccc1C.
What is the InChIKey of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is PBFPFFRWZIYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-12-7-4-5-8-14(12)16(22-3)11-19-23(20,21)17-10-6-9-15(18)13(17)2/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 71810536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).