2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene

C18H17ClF2O2S — CID 59769784

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C18H17ClF2O2S/c19-13-5-8-15(9-6-13)24(22,23)18(12-3-1-2-4-12)16-11-14(20)7-10-17(16)21/h5-12,18H,1-4H2
InChIKeyIYOSXLMFCDQKKV-UHFFFAOYSA-N
MW370.85 g/mol
LogP5.32
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene

2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene (PubChem CID 59769784) has the molecular formula C18H17ClF2O2S and a molecular weight of 370.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
PubChem CID59769784
Molecular FormulaC18H17ClF2O2S
Molecular Weight370.85 g/mol
Exact Mass370.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C18H17ClF2O2S/c19-13-5-8-15(9-6-13)24(22,23)18(12-3-1-2-4-12)16-11-14(20)7-10-17(16)21/h5-12,18H,1-4H2
InChIKeyIYOSXLMFCDQKKV-UHFFFAOYSA-N
XLogP5.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.85
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
CID 82934246
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutanal
CID 86601720
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698
tert-butyl-[(2R,3S)-3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropyl]carbamic acid
CID 91018614
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
CID 59750748
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene (CID 59769784) is 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene is O=S(=O)(c1ccc(Cl)cc1)C(c1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene?
The InChIKey is IYOSXLMFCDQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2O2S/c19-13-5-8-15(9-6-13)24(22,23)18(12-3-1-2-4-12)16-11-14(20)7-10-17(16)21/h5-12,18H,1-4H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene?
2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene has a molecular weight of 370.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclopentylmethyl]-1,4-difluorobenzene is sourced from PubChem (CID 59769784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).