N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide

C18H14ClFN2O2S — CID 174547064

IUPACN-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(N(Cl)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-13-12-14(20)10-11-16(13)17-8-5-9-18(21-17)22(19)25(23,24)15-6-3-2-4-7-15/h2-12H,1H3
InChIKeyTVLZBTYPMKTNRG-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.55
Rot. Bonds4

About N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide

N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 174547064) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide
PubChem CID174547064
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC NameN-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cccc(N(Cl)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-13-12-14(20)10-11-16(13)17-8-5-9-18(21-17)22(19)25(23,24)15-6-3-2-4-7-15/h2-12H,1H3
InChIKeyTVLZBTYPMKTNRG-UHFFFAOYSA-N
XLogP4.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide (CID 174547064) is N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide is Cc1cc(F)ccc1-c1cccc(N(Cl)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is TVLZBTYPMKTNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-13-12-14(20)10-11-16(13)17-8-5-9-18(21-17)22(19)25(23,24)15-6-3-2-4-7-15/h2-12H,1H3.
What are the key properties of N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide?
N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 376.84 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 174547064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).