N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide

C19H23IN2O3S — CID 1294575

IUPACN-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C19H23IN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-17(9-11-18)21-19(23)15-6-5-7-16(20)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyCIBGZZCBKCEODA-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.35
Rot. Bonds8

About N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide

N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide (PubChem CID 1294575) has the molecular formula C19H23IN2O3S and a molecular weight of 486.38 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
PubChem CID1294575
Molecular FormulaC19H23IN2O3S
Molecular Weight486.38 g/mol
Exact Mass486.05
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C19H23IN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-17(9-11-18)21-19(23)15-6-5-7-16(20)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyCIBGZZCBKCEODA-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.35
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

3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide (CID 1294575) is N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide?
The InChIKey is CIBGZZCBKCEODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-17(9-11-18)21-19(23)15-6-5-7-16(20)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide?
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide has a molecular weight of 486.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 1294575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).