N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide

C24H28N2O2S — CID 18512032

IUPACN-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1c(NS(=O)(=O)C(C)C)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O2S/c1-19(2)29(27,28)25-23-15-10-16-24(20(23)3)26(17-21-11-6-4-7-12-21)18-22-13-8-5-9-14-22/h4-16,19,25H,17-18H2,1-3H3
InChIKeyDBYMSGSYNMIMNO-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.35
Rot. Bonds8

About N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide

N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide (PubChem CID 18512032) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide
PubChem CID18512032
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide
SMILESCc1c(NS(=O)(=O)C(C)C)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O2S/c1-19(2)29(27,28)25-23-15-10-16-24(20(23)3)26(17-21-11-6-4-7-12-21)18-22-13-8-5-9-14-22/h4-16,19,25H,17-18H2,1-3H3
InChIKeyDBYMSGSYNMIMNO-UHFFFAOYSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide (CID 18512032) is N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide is Cc1c(NS(=O)(=O)C(C)C)cccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide?
The InChIKey is DBYMSGSYNMIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-19(2)29(27,28)25-23-15-10-16-24(20(23)3)26(17-21-11-6-4-7-12-21)18-22-13-8-5-9-14-22/h4-16,19,25H,17-18H2,1-3H3.
What are the key properties of N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide?
N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide has a molecular weight of 408.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-2-methylphenyl]propane-2-sulfonamide is sourced from PubChem (CID 18512032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).