3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

C17H19IN2O3S — CID 26747065

IUPAC3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O3S/c1-12(2)20(3)24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12H,1-3H3,(H,19,21)
InChIKeyGAOSSXXWUKDZSE-UHFFFAOYSA-N
MW458.32 g/mol
LogP3.57
Rot. Bonds5

About 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 26747065) has the molecular formula C17H19IN2O3S and a molecular weight of 458.32 g/mol. Its IUPAC name is 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID26747065
Molecular FormulaC17H19IN2O3S
Molecular Weight458.32 g/mol
Exact Mass458.02
IUPAC Name3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O3S/c1-12(2)20(3)24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12H,1-3H3,(H,19,21)
InChIKeyGAOSSXXWUKDZSE-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26499284
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (CID 26747065) is 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is GAOSSXXWUKDZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O3S/c1-12(2)20(3)24(22,23)16-9-7-15(8-10-16)19-17(21)13-5-4-6-14(18)11-13/h4-12H,1-3H3,(H,19,21).
What are the key properties of 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 458.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26747065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).