3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide

C18H24N2O5S2 — CID 2914908

IUPAC3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O5S2/c1-4-20(5-2)27(23,24)16-11-12-18(25-3)17(13-16)19-26(21,22)14-15-9-7-6-8-10-15/h6-13,19H,4-5,14H2,1-3H3
InChIKeyLYBYEIVEMDNVJU-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.67
Rot. Bonds9

About 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide

3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide (PubChem CID 2914908) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide
PubChem CID2914908
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC Name3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O5S2/c1-4-20(5-2)27(23,24)16-11-12-18(25-3)17(13-16)19-26(21,22)14-15-9-7-6-8-10-15/h6-13,19H,4-5,14H2,1-3H3
InChIKeyLYBYEIVEMDNVJU-UHFFFAOYSA-N
XLogP2.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide (CID 2914908) is 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide?
The InChIKey is LYBYEIVEMDNVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-4-20(5-2)27(23,24)16-11-12-18(25-3)17(13-16)19-26(21,22)14-15-9-7-6-8-10-15/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide?
3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide has a molecular weight of 412.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfonylamino)-N,N-diethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2914908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).