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

C16H18ClNO3S — CID 90598861

IUPAC3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1C
InChIInChI=1S/C16H18ClNO3S/c1-12-6-3-4-9-15(12)16(21-2)11-18-22(19,20)14-8-5-7-13(17)10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyMOCMGBWSASQCDS-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.31
Rot. Bonds6

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

3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 90598861) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID90598861
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1C
InChIInChI=1S/C16H18ClNO3S/c1-12-6-3-4-9-15(12)16(21-2)11-18-22(19,20)14-8-5-7-13(17)10-14/h3-10,16,18H,11H2,1-2H3
InChIKeyMOCMGBWSASQCDS-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 90598894
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
2,4-dimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 90598861) is 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1C.
What is the InChIKey of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is MOCMGBWSASQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12-6-3-4-9-15(12)16(21-2)11-18-22(19,20)14-8-5-7-13(17)10-14/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide?
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.31, 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]benzenesulfonamide is sourced from PubChem (CID 90598861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).