4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide

C24H28N2O4S2 — CID 71622674

IUPAC4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4S2/c1-19(2)16-26(31(27,28)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)32(25,29)30/h3-15,19H,16-18H2,1-2H3,(H2,25,29,30)
InChIKeyFEUVFGALYVKUEI-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.99
Rot. Bonds9

About 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide

4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 71622674) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID71622674
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C24H28N2O4S2/c1-19(2)16-26(31(27,28)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)32(25,29)30/h3-15,19H,16-18H2,1-2H3,(H2,25,29,30)
InChIKeyFEUVFGALYVKUEI-UHFFFAOYSA-N
XLogP3.99
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide (CID 71622674) is 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide is CC(C)CN(Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is FEUVFGALYVKUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-19(2)16-26(31(27,28)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)32(25,29)30/h3-15,19H,16-18H2,1-2H3,(H2,25,29,30).
What are the key properties of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide?
4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 472.63 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).