N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide

C14H11FN2O4S4 — CID 70133210

IUPACN-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C14H11FN2O4S4/c15-10-5-6-11(16-24(18,19)13-3-1-7-22-13)12(9-10)17-25(20,21)14-4-2-8-23-14/h1-9,16-17H
InChIKeyUYMGOKDGDNRTHI-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.55
Rot. Bonds6

About N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide

N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 70133210) has the molecular formula C14H11FN2O4S4 and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
PubChem CID70133210
Molecular FormulaC14H11FN2O4S4
Molecular Weight418.52 g/mol
Exact Mass417.96
IUPAC NameN-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1cccs1)c1cccs1
InChIInChI=1S/C14H11FN2O4S4/c15-10-5-6-11(16-24(18,19)13-3-1-7-22-13)12(9-10)17-25(20,21)14-4-2-8-23-14/h1-9,16-17H
InChIKeyUYMGOKDGDNRTHI-UHFFFAOYSA-N
XLogP3.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
N-(5-fluoro-2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
CID 113092648
N-[4,5-dichloro-2-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970465
N-fluorothiophene-2-sulfonamide
CID 175398216
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553
N-(3-fluoro-2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 122150617
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide (CID 70133210) is N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(F)cc1NS(=O)(=O)c1cccs1)c1cccs1.
What is the InChIKey of N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is UYMGOKDGDNRTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S4/c15-10-5-6-11(16-24(18,19)13-3-1-7-22-13)12(9-10)17-25(20,21)14-4-2-8-23-14/h1-9,16-17H.
What are the key properties of N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide?
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 70133210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).