4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C16H17IN2O3S — CID 42919716

IUPAC4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H17IN2O3S/c1-11(12-5-9-15(10-6-12)23(18,21)22)19(2)16(20)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H2,18,21,22)
InChIKeyKIQKQBBONMPURX-UHFFFAOYSA-N
MW444.29 g/mol
LogP2.77
Rot. Bonds4

About 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 42919716) has the molecular formula C16H17IN2O3S and a molecular weight of 444.29 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID42919716
Molecular FormulaC16H17IN2O3S
Molecular Weight444.29 g/mol
Exact Mass444.00
IUPAC Name4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1
InChIInChI=1S/C16H17IN2O3S/c1-11(12-5-9-15(10-6-12)23(18,21)22)19(2)16(20)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H2,18,21,22)
InChIKeyKIQKQBBONMPURX-UHFFFAOYSA-N
XLogP2.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 52.77
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-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46699399
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 24612098
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 42919716) is 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is KIQKQBBONMPURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S/c1-11(12-5-9-15(10-6-12)23(18,21)22)19(2)16(20)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H2,18,21,22).
What are the key properties of 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 444.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 42919716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).