4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide

C17H22N2O4S2 — CID 1306734

IUPAC4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-3-19(4-2)25(22,23)17-12-10-16(11-13-17)18-24(20,21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3
InChIKeySSTRNBCGQZSLER-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.66
Rot. Bonds8

About 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide

4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide (PubChem CID 1306734) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide
PubChem CID1306734
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-3-19(4-2)25(22,23)17-12-10-16(11-13-17)18-24(20,21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3
InChIKeySSTRNBCGQZSLER-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
Benzenesulfono-o-toluidide
CID 87657
Sulfatolamide
CID 3034019
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
4-[2-[(4-Aminophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 9998322
N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
N-phenyl-3-(2-aminoethyl)benzenesulfonamide
CID 11849794
N-[4-(2-aminoethyl)phenyl]Benzenesulfonamide
CID 15281645
4-amino-N-p-tolylbenzenesulfonamide
CID 572102

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide (CID 1306734) is 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide?
The InChIKey is SSTRNBCGQZSLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-3-19(4-2)25(22,23)17-12-10-16(11-13-17)18-24(20,21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3.
What are the key properties of 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide?
4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfonylamino)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 1306734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).