2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide

C18H15ClFN3O2S — CID 113012187

IUPAC2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(F)cc2)nc1)c1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c19-16-3-1-2-4-17(16)26(24,25)23-15-9-10-18(22-12-15)21-11-13-5-7-14(20)8-6-13/h1-10,12,23H,11H2,(H,21,22)
InChIKeyWTWRRAIVXRHMLG-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.29
Rot. Bonds6

About 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide

2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113012187) has the molecular formula C18H15ClFN3O2S and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID113012187
Molecular FormulaC18H15ClFN3O2S
Molecular Weight391.86 g/mol
Exact Mass391.06
IUPAC Name2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccc(F)cc2)nc1)c1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O2S/c19-16-3-1-2-4-17(16)26(24,25)23-15-9-10-18(22-12-15)21-11-13-5-7-14(20)8-6-13/h1-10,12,23H,11H2,(H,21,22)
InChIKeyWTWRRAIVXRHMLG-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

5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
2-chloro-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023545
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
2-chloro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzenesulfonamide
CID 113025271
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 113024346
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide (CID 113012187) is 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccc(F)cc2)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is WTWRRAIVXRHMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2S/c19-16-3-1-2-4-17(16)26(24,25)23-15-9-10-18(22-12-15)21-11-13-5-7-14(20)8-6-13/h1-10,12,23H,11H2,(H,21,22).
What are the key properties of 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-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 2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).