N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide

C13H13IN2O3S2 — CID 78949623

IUPACN-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C13H13IN2O3S2/c1-16(2)21(18,19)11-5-3-4-10(7-11)15-13(17)9-6-12(14)20-8-9/h3-8H,1-2H3,(H,15,17)
InChIKeyHVDSXQCBOMUIPS-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide (PubChem CID 78949623) has the molecular formula C13H13IN2O3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
PubChem CID78949623
Molecular FormulaC13H13IN2O3S2
Molecular Weight436.30 g/mol
Exact Mass435.94
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(I)c2)c1
InChIInChI=1S/C13H13IN2O3S2/c1-16(2)21(18,19)11-5-3-4-10(7-11)15-13(17)9-6-12(14)20-8-9/h3-8H,1-2H3,(H,15,17)
InChIKeyHVDSXQCBOMUIPS-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide (CID 78949623) is N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2csc(I)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide?
The InChIKey is HVDSXQCBOMUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3S2/c1-16(2)21(18,19)11-5-3-4-10(7-11)15-13(17)9-6-12(14)20-8-9/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78949623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).