4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide

C10H11IN2O2S — CID 106442148

IUPAC4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCCI)cc1
InChIInChI=1S/C10H11IN2O2S/c11-6-8-13-16(14,15)10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2
InChIKeyUWFQIJUQXLXNAC-UHFFFAOYSA-N
MW350.18 g/mol
LogP1.47
Rot. Bonds5

About 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide

4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide (PubChem CID 106442148) has the molecular formula C10H11IN2O2S and a molecular weight of 350.18 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
PubChem CID106442148
Molecular FormulaC10H11IN2O2S
Molecular Weight350.18 g/mol
Exact Mass349.96
IUPAC Name4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCCI)cc1
InChIInChI=1S/C10H11IN2O2S/c11-6-8-13-16(14,15)10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2
InChIKeyUWFQIJUQXLXNAC-UHFFFAOYSA-N
XLogP1.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoic acid
CID 79185253
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
4-(cyanomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 103080920
4-(cyanomethyl)-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039708
N-(2-amino-2-methylpropyl)-4-(cyanomethyl)benzenesulfonamide
CID 113282753
4-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylbutanoic acid
CID 80540330
4-(cyanomethyl)-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 79195635
ethyl 3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoate
CID 79196212
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
5-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylpentanoic acid
CID 104682880

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide (CID 106442148) is 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide is N#CCc1ccc(S(=O)(=O)NCCI)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide?
The InChIKey is UWFQIJUQXLXNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2S/c11-6-8-13-16(14,15)10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2.
What are the key properties of 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide?
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide has a molecular weight of 350.18 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide is sourced from PubChem (CID 106442148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).