N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide

C17H21IN2O2S — CID 3763575

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2O2S/c1-19(2)12-13-20(14-15-6-4-3-5-7-15)23(21,22)17-10-8-16(18)9-11-17/h3-11H,12-14H2,1-2H3
InChIKeyFKOWTFSDJJKWPN-UHFFFAOYSA-N
MW444.34 g/mol
LogP3.04
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide

N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide (PubChem CID 3763575) has the molecular formula C17H21IN2O2S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
PubChem CID3763575
Molecular FormulaC17H21IN2O2S
Molecular Weight444.34 g/mol
Exact Mass444.04
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
SMILESCN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2O2S/c1-19(2)12-13-20(14-15-6-4-3-5-7-15)23(21,22)17-10-8-16(18)9-11-17/h3-11H,12-14H2,1-2H3
InChIKeyFKOWTFSDJJKWPN-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide (CID 3763575) is N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide is CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide?
The InChIKey is FKOWTFSDJJKWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2O2S/c1-19(2)12-13-20(14-15-6-4-3-5-7-15)23(21,22)17-10-8-16(18)9-11-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide has a molecular weight of 444.34 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 3763575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).