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

C17H15ClF2O3S — CID 46884863

IUPAC(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene
SMILESC[C@H]1COc2c(F)ccc(F)c2[C@@]1(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2O3S/c1-10-9-23-16-14(20)8-7-13(19)15(16)17(10,2)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17-/m0/s1
InChIKeyDSOHLGSQEFZPGH-BTDLBPIBSA-N
MW372.82 g/mol
LogP4.34
Rot. Bonds2

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

(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene (PubChem CID 46884863) has the molecular formula C17H15ClF2O3S and a molecular weight of 372.82 g/mol. Its IUPAC name is (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene.

Molecular Properties

Compound Name(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene
PubChem CID46884863
Molecular FormulaC17H15ClF2O3S
Molecular Weight372.82 g/mol
Exact Mass372.04
IUPAC Name(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene
SMILESC[C@H]1COc2c(F)ccc(F)c2[C@@]1(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2O3S/c1-10-9-23-16-14(20)8-7-13(19)15(16)17(10,2)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17-/m0/s1
InChIKeyDSOHLGSQEFZPGH-BTDLBPIBSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene?
The IUPAC name of (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene (CID 46884863) is (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene.
What is the SMILES notation for (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene?
The canonical SMILES for (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene is C[C@H]1COc2c(F)ccc(F)c2[C@@]1(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene?
The InChIKey is DSOHLGSQEFZPGH-BTDLBPIBSA-N. The full InChI is InChI=1S/C17H15ClF2O3S/c1-10-9-23-16-14(20)8-7-13(19)15(16)17(10,2)24(21,22)12-5-3-11(18)4-6-12/h3-8,10H,9H2,1-2H3/t10-,17-/m0/s1.
What are the key properties of (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene?
(3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene has a molecular weight of 372.82 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-chlorophenyl)sulfonyl-5,8-difluoro-3,4-dimethyl-2,3-dihydrochromene is sourced from PubChem (CID 46884863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).