N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide

C17H22N2O4S2 — CID 1292651

IUPACN-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-3-24(20,21)18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-25(22,23)4-2/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyMVLYSBYAJPLNHC-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.80
Rot. Bonds8

About N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide

N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide (PubChem CID 1292651) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide
PubChem CID1292651
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cc2ccc(NS(=O)(=O)CC)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-3-24(20,21)18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-25(22,23)4-2/h5-12,18-19H,3-4,13H2,1-2H3
InChIKeyMVLYSBYAJPLNHC-UHFFFAOYSA-N
XLogP2.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide (CID 1292651) is N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Cc2ccc(NS(=O)(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide?
The InChIKey is MVLYSBYAJPLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-3-24(20,21)18-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19-25(22,23)4-2/h5-12,18-19H,3-4,13H2,1-2H3.
What are the key properties of N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide?
N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(ethylsulfonylamino)phenyl]methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 1292651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).