N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide

C18H24N2O6S2 — CID 1293958

IUPACN-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC
InChIInChI=1S/C18H24N2O6S2/c1-5-27(21,22)19-15-9-7-13(11-17(15)25-3)14-8-10-16(18(12-14)26-4)20-28(23,24)6-2/h7-12,19-20H,5-6H2,1-4H3
InChIKeyWCNQIIHWNXOJQB-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.89
Rot. Bonds9

About N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide

N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide (PubChem CID 1293958) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
PubChem CID1293958
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC NameN-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC
InChIInChI=1S/C18H24N2O6S2/c1-5-27(21,22)19-15-9-7-13(11-17(15)25-3)14-8-10-16(18(12-14)26-4)20-28(23,24)6-2/h7-12,19-20H,5-6H2,1-4H3
InChIKeyWCNQIIHWNXOJQB-UHFFFAOYSA-N
XLogP2.89
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide?
The IUPAC name of N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide (CID 1293958) is N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC.
What is the InChIKey of N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide?
The InChIKey is WCNQIIHWNXOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-5-27(21,22)19-15-9-7-13(11-17(15)25-3)14-8-10-16(18(12-14)26-4)20-28(23,24)6-2/h7-12,19-20H,5-6H2,1-4H3.
What are the key properties of N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide?
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide is sourced from PubChem (CID 1293958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).