(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene

C17H15ClF2O3S — CID 46884784

IUPAC(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene
SMILESC[C@@H]1C[C@](C)(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C17H15ClF2O3S/c1-10-9-17(2,15-13(19)7-8-14(20)16(15)23-10)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17+/m1/s1
InChIKeyCVWYRNIWVBKSMC-QGHHPUGFSA-N
MW372.82 g/mol
LogP4.48
Rot. Bonds2

About (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene

(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene (PubChem CID 46884784) has the molecular formula C17H15ClF2O3S and a molecular weight of 372.82 g/mol. Its IUPAC name is (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene.

Molecular Properties

Compound Name(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene
PubChem CID46884784
Molecular FormulaC17H15ClF2O3S
Molecular Weight372.82 g/mol
Exact Mass372.04
IUPAC Name(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene
SMILESC[C@@H]1C[C@](C)(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1
InChIInChI=1S/C17H15ClF2O3S/c1-10-9-17(2,15-13(19)7-8-14(20)16(15)23-10)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17+/m1/s1
InChIKeyCVWYRNIWVBKSMC-QGHHPUGFSA-N
XLogP4.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene?
The IUPAC name of (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene (CID 46884784) is (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene.
What is the SMILES notation for (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene?
The canonical SMILES for (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene is C[C@@H]1C[C@](C)(S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1.
What is the InChIKey of (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene?
The InChIKey is CVWYRNIWVBKSMC-QGHHPUGFSA-N. The full InChI is InChI=1S/C17H15ClF2O3S/c1-10-9-17(2,15-13(19)7-8-14(20)16(15)23-10)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17+/m1/s1.
What are the key properties of (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene?
(2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene has a molecular weight of 372.82 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-2,4-dimethyl-2,3-dihydrochromene is sourced from PubChem (CID 46884784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).