N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide

C13H16N2O5S3 — CID 8519544

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H16N2O5S3/c1-15(2)23(18,19)12-9-10(6-7-11(12)20-3)14-22(16,17)13-5-4-8-21-13/h4-9,14H,1-3H3
InChIKeyWBJXMRFMEZWMIQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 8519544) has the molecular formula C13H16N2O5S3 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID8519544
Molecular FormulaC13H16N2O5S3
Molecular Weight376.48 g/mol
Exact Mass376.02
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H16N2O5S3/c1-15(2)23(18,19)12-9-10(6-7-11(12)20-3)14-22(16,17)13-5-4-8-21-13/h4-9,14H,1-3H3
InChIKeyWBJXMRFMEZWMIQ-UHFFFAOYSA-N
XLogP1.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9106438
[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199427
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide (CID 8519544) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is WBJXMRFMEZWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S3/c1-15(2)23(18,19)12-9-10(6-7-11(12)20-3)14-22(16,17)13-5-4-8-21-13/h4-9,14H,1-3H3.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8519544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).