N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide

C16H18ClNO4S — CID 110300131

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO4S/c1-21-10-11-23(19,20)18-15-6-8-16(9-7-15)22-12-13-2-4-14(17)5-3-13/h2-9,18H,10-12H2,1H3
InChIKeyMEYBIXTVAISKEV-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide (PubChem CID 110300131) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
PubChem CID110300131
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO4S/c1-21-10-11-23(19,20)18-15-6-8-16(9-7-15)22-12-13-2-4-14(17)5-3-13/h2-9,18H,10-12H2,1H3
InChIKeyMEYBIXTVAISKEV-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-[4-(3-methoxypropylsulfonylamino)phenoxy]acetic acid
CID 63772703
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 20995143
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 114252948
N-[4-(pyridin-4-ylmethoxy)phenyl]but-3-ene-1-sulfonamide
CID 84591572
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide (CID 110300131) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide?
The InChIKey is MEYBIXTVAISKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-10-11-23(19,20)18-15-6-8-16(9-7-15)22-12-13-2-4-14(17)5-3-13/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 110300131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).