2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide

C16H16Cl2FNO2S — CID 3684378

IUPAC2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(Cc1ccc(F)cc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNO2S/c1-16(2,10-11-3-6-13(19)7-4-11)20-23(21,22)15-9-12(17)5-8-14(15)18/h3-9,20H,10H2,1-2H3
InChIKeyHEAXRSDFZZIWNT-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.43
Rot. Bonds5

About 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide

2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 3684378) has the molecular formula C16H16Cl2FNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID3684378
Molecular FormulaC16H16Cl2FNO2S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC Name2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(Cc1ccc(F)cc1)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNO2S/c1-16(2,10-11-3-6-13(19)7-4-11)20-23(21,22)15-9-12(17)5-8-14(15)18/h3-9,20H,10H2,1-2H3
InChIKeyHEAXRSDFZZIWNT-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide (CID 3684378) is 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide is CC(C)(Cc1ccc(F)cc1)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is HEAXRSDFZZIWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO2S/c1-16(2,10-11-3-6-13(19)7-4-11)20-23(21,22)15-9-12(17)5-8-14(15)18/h3-9,20H,10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 376.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3684378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).