4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide

C18H15ClFN3O2S — CID 113027143

IUPAC4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2S/c19-14-3-8-17(9-4-14)26(24,25)23-18-10-7-16(12-22-18)21-11-13-1-5-15(20)6-2-13/h1-10,12,21H,11H2,(H,22,23)
InChIKeyHBMVWSLYLPZTMV-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.29
Rot. Bonds6

About 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide

4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113027143) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID113027143
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFN3O2S/c19-14-3-8-17(9-4-14)26(24,25)23-18-10-7-16(12-22-18)21-11-13-1-5-15(20)6-2-13/h1-10,12,21H,11H2,(H,22,23)
InChIKeyHBMVWSLYLPZTMV-UHFFFAOYSA-N
XLogP4.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 82343403
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide (CID 113027143) is 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HBMVWSLYLPZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c19-14-3-8-17(9-4-14)26(24,25)23-18-10-7-16(12-22-18)21-11-13-1-5-15(20)6-2-13/h1-10,12,21H,11H2,(H,22,23).
What are the key properties of 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 391.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).