N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide

C16H18ClNO5S2 — CID 21053680

IUPACN-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide
SMILESCc1ccc(Cl)c(COc2ccc(S(C)(=O)=O)cc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H18ClNO5S2/c1-11-4-6-14(17)12(8-11)10-23-16-7-5-13(24(2,19)20)9-15(16)18-25(3,21)22/h4-9,18H,10H2,1-3H3
InChIKeyMXJLRGIFVKMSDD-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide

N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide (PubChem CID 21053680) has the molecular formula C16H18ClNO5S2 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide
PubChem CID21053680
Molecular FormulaC16H18ClNO5S2
Molecular Weight403.91 g/mol
Exact Mass403.03
IUPAC NameN-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide
SMILESCc1ccc(Cl)c(COc2ccc(S(C)(=O)=O)cc2NS(C)(=O)=O)c1
InChIInChI=1S/C16H18ClNO5S2/c1-11-4-6-14(17)12(8-11)10-23-16-7-5-13(24(2,19)20)9-15(16)18-25(3,21)22/h4-9,18H,10H2,1-3H3
InChIKeyMXJLRGIFVKMSDD-UHFFFAOYSA-N
XLogP3.00
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide (CID 21053680) is N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide is Cc1ccc(Cl)c(COc2ccc(S(C)(=O)=O)cc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide?
The InChIKey is MXJLRGIFVKMSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S2/c1-11-4-6-14(17)12(8-11)10-23-16-7-5-13(24(2,19)20)9-15(16)18-25(3,21)22/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide?
N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide has a molecular weight of 403.91 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-5-methylphenyl)methoxy]-5-methylsulfonylphenyl]methanesulfonamide is sourced from PubChem (CID 21053680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).