5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

C16H14N2O6S4 — CID 5097147

IUPAC5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2O6S4/c17-27(21,22)14-8-4-5-12(11-14)18-28(23,24)16-10-9-15(25-16)26(19,20)13-6-2-1-3-7-13/h1-11,18H,(H2,17,21,22)
InChIKeySILBZNJMMWTXRK-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.03
Rot. Bonds6

About 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide

5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 5097147) has the molecular formula C16H14N2O6S4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID5097147
Molecular FormulaC16H14N2O6S4
Molecular Weight458.56 g/mol
Exact Mass457.97
IUPAC Name5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1
InChIInChI=1S/C16H14N2O6S4/c17-27(21,22)14-8-4-5-12(11-14)18-28(23,24)16-10-9-15(25-16)26(19,20)13-6-2-1-3-7-13/h1-11,18H,(H2,17,21,22)
InChIKeySILBZNJMMWTXRK-UHFFFAOYSA-N
XLogP2.03
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide 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-(benzenesulfonyl)phenyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 167917056
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739
2-chloro-N-(3-sulfamoylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427451
N-[4-[[5-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 2814518
5-(benzenesulfonyl)-N-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-7-yl)thiophene-2-sulfonamide
CID 71520247
5-(benzenesulfonyl)-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 59679841
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 154848350
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide (CID 5097147) is 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1.
What is the InChIKey of 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is SILBZNJMMWTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S4/c17-27(21,22)14-8-4-5-12(11-14)18-28(23,24)16-10-9-15(25-16)26(19,20)13-6-2-1-3-7-13/h1-11,18H,(H2,17,21,22).
What are the key properties of 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide?
5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 458.56 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 5097147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).