N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide

C22H24N2O2S — CID 112985062

IUPACN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3
InChIKeyGDZSRURFMHBYQX-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide

N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 112985062) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID112985062
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3
InChIKeyGDZSRURFMHBYQX-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide (CID 112985062) is N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide is CC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is GDZSRURFMHBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3.
What are the key properties of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112985062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).