N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

C29H30N2O3S — CID 2884366

IUPACN-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2O3S/c32-28(23-30(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)24-31(27-17-9-3-10-18-27)35(33,34)29-19-11-4-12-20-29/h1-20,28,32H,21-24H2
InChIKeyJYEPVXUPCWRKDK-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.95
Rot. Bonds11

About N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (PubChem CID 2884366) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
PubChem CID2884366
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC NameN-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC(O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H30N2O3S/c32-28(23-30(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)24-31(27-17-9-3-10-18-27)35(33,34)29-19-11-4-12-20-29/h1-20,28,32H,21-24H2
InChIKeyJYEPVXUPCWRKDK-UHFFFAOYSA-N
XLogP4.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (CID 2884366) is N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(CC(O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The InChIKey is JYEPVXUPCWRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c32-28(23-30(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)24-31(27-17-9-3-10-18-27)35(33,34)29-19-11-4-12-20-29/h1-20,28,32H,21-24H2.
What are the key properties of N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide has a molecular weight of 486.64 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-2-hydroxypropyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2884366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).