5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide

C12H14N2O4S4 — CID 12736862

IUPAC5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H14N2O4S4/c1-14(2)22(17,18)10-5-3-9(4-6-10)19-11-7-8-12(20-11)21(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyMHTDTOWYLCYUSX-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.80
Rot. Bonds5

About 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide

5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide (PubChem CID 12736862) has the molecular formula C12H14N2O4S4 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide
PubChem CID12736862
Molecular FormulaC12H14N2O4S4
Molecular Weight378.52 g/mol
Exact Mass377.98
IUPAC Name5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C12H14N2O4S4/c1-14(2)22(17,18)10-5-3-9(4-6-10)19-11-7-8-12(20-11)21(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyMHTDTOWYLCYUSX-UHFFFAOYSA-N
XLogP1.80
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 220260
CID 220260
CID 10828282
CID 10828282
CID 12736887
CID 12736887
CID 130358029
CID 130358029
CID 1168553
CID 1168553
CID 2778824
CID 2778824
CID 2820762
CID 2820762
CID 12736853
CID 12736853
CID 12736854
CID 12736854
CID 12736859
CID 12736859
CID 12736861
CID 12736861
CID 12736869
CID 12736869

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide (CID 12736862) is 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide?
The InChIKey is MHTDTOWYLCYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S4/c1-14(2)22(17,18)10-5-3-9(4-6-10)19-11-7-8-12(20-11)21(13,15)16/h3-8H,1-2H3,(H2,13,15,16).
What are the key properties of 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide?
5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylsulfamoyl)phenyl]sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).