4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

C11H17IN2O2S — CID 62663707

IUPAC4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(C)NCCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H17IN2O2S/c1-9(2)13-7-8-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyRISDMPUUHMZWMH-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.57
Rot. Bonds6

About 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 62663707) has the molecular formula C11H17IN2O2S and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID62663707
Molecular FormulaC11H17IN2O2S
Molecular Weight368.24 g/mol
Exact Mass368.01
IUPAC Name4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(C)NCCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H17IN2O2S/c1-9(2)13-7-8-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyRISDMPUUHMZWMH-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227851
4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
CID 130349628
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 62663707) is 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is CC(C)NCCNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is RISDMPUUHMZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2S/c1-9(2)13-7-8-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 368.24 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62663707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).