N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide

C24H20F2N2O2S2 — CID 59823150

IUPACN-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C24H20F2N2O2S2/c1-28(2)21-13-11-20(12-14-21)27-32(29,30)23-15-22(16-3-7-18(25)8-4-16)24(31-23)17-5-9-19(26)10-6-17/h3-15,27H,1-2H3
InChIKeyUCCBCVIKVWFQPZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP6.23
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide

N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 59823150) has the molecular formula C24H20F2N2O2S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide
PubChem CID59823150
Molecular FormulaC24H20F2N2O2S2
Molecular Weight470.57 g/mol
Exact Mass470.09
IUPAC NameN-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C24H20F2N2O2S2/c1-28(2)21-13-11-20(12-14-21)27-32(29,30)23-15-22(16-3-7-18(25)8-4-16)24(31-23)17-5-9-19(26)10-6-17/h3-15,27H,1-2H3
InChIKeyUCCBCVIKVWFQPZ-UHFFFAOYSA-N
XLogP6.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide (CID 59823150) is N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is UCCBCVIKVWFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2S2/c1-28(2)21-13-11-20(12-14-21)27-32(29,30)23-15-22(16-3-7-18(25)8-4-16)24(31-23)17-5-9-19(26)10-6-17/h3-15,27H,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide?
N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 470.57 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4,5-bis(4-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 59823150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).