2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide

C18H18Cl2F3NO3S — CID 69491379

IUPAC2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide
SMILESCC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m1/s1
InChIKeyFWZMNCSXFIPFQX-QGZVFWFLSA-N
MW456.31 g/mol
LogP5.37
Rot. Bonds5

About 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide

2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide (PubChem CID 69491379) has the molecular formula C18H18Cl2F3NO3S and a molecular weight of 456.31 g/mol. Its IUPAC name is 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide
PubChem CID69491379
Molecular FormulaC18H18Cl2F3NO3S
Molecular Weight456.31 g/mol
Exact Mass455.03
IUPAC Name2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide
SMILESCC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m1/s1
InChIKeyFWZMNCSXFIPFQX-QGZVFWFLSA-N
XLogP5.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide (CID 69491379) is 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide is CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide?
The InChIKey is FWZMNCSXFIPFQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18Cl2F3NO3S/c1-11(2)24(28(26,27)16-10-13(19)6-9-15(16)20)14-7-4-12(5-8-14)17(3,25)18(21,22)23/h4-11,25H,1-3H3/t17-/m1/s1.
What are the key properties of 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide?
2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide has a molecular weight of 456.31 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-propan-2-yl-N-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 69491379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).