N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide

C15H11ClFN3O2S2 — CID 113019023

IUPACN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C15H11ClFN3O2S2/c16-12-8-10(3-5-13(12)17)19-14-6-4-11(9-18-14)20-24(21,22)15-2-1-7-23-15/h1-9,20H,(H,18,19)
InChIKeyBRDKQTRGTGHARC-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.48
Rot. Bonds5

About N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113019023) has the molecular formula C15H11ClFN3O2S2 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113019023
Molecular FormulaC15H11ClFN3O2S2
Molecular Weight383.86 g/mol
Exact Mass383.00
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C15H11ClFN3O2S2/c16-12-8-10(3-5-13(12)17)19-14-6-4-11(9-18-14)20-24(21,22)15-2-1-7-23-15/h1-9,20H,(H,18,19)
InChIKeyBRDKQTRGTGHARC-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113019023) is N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2ccc(F)c(Cl)c2)nc1)c1cccs1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is BRDKQTRGTGHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S2/c16-12-8-10(3-5-13(12)17)19-14-6-4-11(9-18-14)20-24(21,22)15-2-1-7-23-15/h1-9,20H,(H,18,19).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 383.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113019023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).