N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide

C12H18INO2S — CID 103727880

IUPACN-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H18INO2S/c1-12(2,3)8-9-17(15,16)14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3
InChIKeyKKOZLSFCWZQXQQ-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.47
Rot. Bonds4

About N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103727880) has the molecular formula C12H18INO2S and a molecular weight of 367.25 g/mol. Its IUPAC name is N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103727880
Molecular FormulaC12H18INO2S
Molecular Weight367.25 g/mol
Exact Mass367.01
IUPAC NameN-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H18INO2S/c1-12(2,3)8-9-17(15,16)14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3
InChIKeyKKOZLSFCWZQXQQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)ethanesulfonamide
CID 6468386
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521277
N-(2-iodophenyl)sulfamoyl iodide
CID 155206328
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
N-(2-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106030313
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
N-[4-(chloromethyl)phenyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521723
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
N-(4-cyanophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727884
2-(3,3-dimethylbutylsulfonylamino)-6-fluorobenzenecarboximidamide
CID 103521962
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide (CID 103727880) is N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is KKOZLSFCWZQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2S/c1-12(2,3)8-9-17(15,16)14-11-7-5-4-6-10(11)13/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 367.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103727880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).