1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one

C15H11ClF2O2S — CID 115477416

IUPAC1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClF2O2S/c16-14-8-13(5-6-15(14)18)21(20)9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2
InChIKeyBTTOGYRPEIOBER-UHFFFAOYSA-N
MW328.77 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one

1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one (PubChem CID 115477416) has the molecular formula C15H11ClF2O2S and a molecular weight of 328.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
PubChem CID115477416
Molecular FormulaC15H11ClF2O2S
Molecular Weight328.77 g/mol
Exact Mass328.01
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CS(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClF2O2S/c16-14-8-13(5-6-15(14)18)21(20)9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2
InChIKeyBTTOGYRPEIOBER-UHFFFAOYSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
CID 64636130
ethyl 2-(3-chloro-4-fluorophenyl)sulfinylacetate
CID 115477193
2-[4-[(3-chloro-4-fluorophenyl)methylsulfinyl]phenyl]acetic acid
CID 103040683
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1-(2,4-difluorophenyl)sulfinyl-3-phenylpropan-2-one
CID 64639503
2-chloro-5-[3-(4-fluorophenyl)-2-oxopropyl]benzonitrile
CID 165098058
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 113318087
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutan-2-one
CID 103039327
1-(2-chlorophenyl)-2-(3,4-difluorophenyl)sulfinylethanone
CID 64638298
(3-chloro-4-fluorophenyl)methanesulfinic acid
CID 165449429
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one (CID 115477416) is 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1)CS(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one?
The InChIKey is BTTOGYRPEIOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2S/c16-14-8-13(5-6-15(14)18)21(20)9-12(19)7-10-1-3-11(17)4-2-10/h1-6,8H,7,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one?
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one has a molecular weight of 328.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfinyl-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 115477416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).