N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide

C21H22N2O4S2 — CID 1025603

IUPACN-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-23(16-18-8-4-2-5-9-18)29(26,27)21-14-12-20(13-15-21)22-28(24,25)17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3
InChIKeyAJHIOSCDEIVDRC-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.45
Rot. Bonds8

About N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide

N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide (PubChem CID 1025603) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide
PubChem CID1025603
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-23(16-18-8-4-2-5-9-18)29(26,27)21-14-12-20(13-15-21)22-28(24,25)17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3
InChIKeyAJHIOSCDEIVDRC-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide (CID 1025603) is N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide?
The InChIKey is AJHIOSCDEIVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-23(16-18-8-4-2-5-9-18)29(26,27)21-14-12-20(13-15-21)22-28(24,25)17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3.
What are the key properties of N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide?
N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 1025603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).