N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide

C12H19IN2O2S — CID 10833752

IUPACN-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyMRLQXZWDBXXKGJ-UHFFFAOYSA-N
MW382.27 g/mol
LogP1.91
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide

N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide (PubChem CID 10833752) has the molecular formula C12H19IN2O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide
PubChem CID10833752
Molecular FormulaC12H19IN2O2S
Molecular Weight382.27 g/mol
Exact Mass382.02
IUPAC NameN-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyMRLQXZWDBXXKGJ-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
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-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide (CID 10833752) is N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide?
The InChIKey is MRLQXZWDBXXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 10833752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).