N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide

C18H21IN2O4S — CID 26901201

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C18H21IN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(25-3)16(12-15)20-18(22)13-6-8-14(19)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyKHHZFKBKFHGKDC-UHFFFAOYSA-N
MW488.35 g/mol
LogP3.58
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide (PubChem CID 26901201) has the molecular formula C18H21IN2O4S and a molecular weight of 488.35 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
PubChem CID26901201
Molecular FormulaC18H21IN2O4S
Molecular Weight488.35 g/mol
Exact Mass488.03
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C18H21IN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(25-3)16(12-15)20-18(22)13-6-8-14(19)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyKHHZFKBKFHGKDC-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide (CID 26901201) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide?
The InChIKey is KHHZFKBKFHGKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN2O4S/c1-4-21(5-2)26(23,24)15-10-11-17(25-3)16(12-15)20-18(22)13-6-8-14(19)9-7-13/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide has a molecular weight of 488.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide is sourced from PubChem (CID 26901201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).