N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

C20H17IN2O3S — CID 2710071

IUPACN-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C20H17IN2O3S/c1-23(18-5-3-2-4-6-18)27(25,26)19-13-7-15(8-14-19)20(24)22-17-11-9-16(21)10-12-17/h2-14H,1H3,(H,22,24)
InChIKeyGLACYHHYJCZJDS-UHFFFAOYSA-N
MW492.34 g/mol
LogP4.37
Rot. Bonds5

About N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2710071) has the molecular formula C20H17IN2O3S and a molecular weight of 492.34 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2710071
Molecular FormulaC20H17IN2O3S
Molecular Weight492.34 g/mol
Exact Mass492.00
IUPAC NameN-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C20H17IN2O3S/c1-23(18-5-3-2-4-6-18)27(25,26)19-13-7-15(8-14-19)20(24)22-17-11-9-16(21)10-12-17/h2-14H,1H3,(H,22,24)
InChIKeyGLACYHHYJCZJDS-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.34
LogP ≤ 54.37
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

4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255
N-dibenzofuran-2-yl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2110736
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2710071) is N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is GLACYHHYJCZJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O3S/c1-23(18-5-3-2-4-6-18)27(25,26)19-13-7-15(8-14-19)20(24)22-17-11-9-16(21)10-12-17/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 492.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2710071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).