N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide

C20H20N2O4S2 — CID 1250946

IUPACN-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyNYSLDYMJIAEKCJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.34
Rot. Bonds6

About N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide

N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide (PubChem CID 1250946) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide
PubChem CID1250946
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyNYSLDYMJIAEKCJ-UHFFFAOYSA-N
XLogP3.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide (CID 1250946) is N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide is CN(c1ccccc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is NYSLDYMJIAEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-21(27(23,24)17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(2)28(25,26)18-13-7-4-8-14-18/h3-16H,1-2H3.
What are the key properties of N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide?
N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzenesulfonyl(methyl)amino]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 1250946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).