N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide

C15H24N2O5S2 — CID 167927926

IUPACN-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CNS(=O)(=O)C2CCOCC2C)cc1
InChIInChI=1S/C15H24N2O5S2/c1-3-23(18,19)17-14-6-4-13(5-7-14)10-16-24(20,21)15-8-9-22-11-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyUELIFWNKERUULN-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.29
Rot. Bonds7

About N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide

N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide (PubChem CID 167927926) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide
PubChem CID167927926
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC NameN-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CNS(=O)(=O)C2CCOCC2C)cc1
InChIInChI=1S/C15H24N2O5S2/c1-3-23(18,19)17-14-6-4-13(5-7-14)10-16-24(20,21)15-8-9-22-11-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyUELIFWNKERUULN-UHFFFAOYSA-N
XLogP1.29
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide?
The IUPAC name of N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide (CID 167927926) is N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide.
What is the SMILES notation for N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide?
The canonical SMILES for N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide is CCS(=O)(=O)Nc1ccc(CNS(=O)(=O)C2CCOCC2C)cc1.
What is the InChIKey of N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide?
The InChIKey is UELIFWNKERUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-3-23(18,19)17-14-6-4-13(5-7-14)10-16-24(20,21)15-8-9-22-11-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide?
N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide is sourced from PubChem (CID 167927926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).