1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene

C18H18Cl2O3S — CID 90106767

IUPAC1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18Cl2O3S/c19-14-7-5-13(6-8-14)12-23-15-9-10-16(11-15)24(21,22)18-4-2-1-3-17(18)20/h1-8,15-16H,9-12H2/t15-,16-/m0/s1
InChIKeyHHMGZCOZDDCQCC-HOTGVXAUSA-N
MW385.31 g/mol
LogP4.91
Rot. Bonds5

About 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene

1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene (PubChem CID 90106767) has the molecular formula C18H18Cl2O3S and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene
PubChem CID90106767
Molecular FormulaC18H18Cl2O3S
Molecular Weight385.31 g/mol
Exact Mass384.04
IUPAC Name1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18Cl2O3S/c19-14-7-5-13(6-8-14)12-23-15-9-10-16(11-15)24(21,22)18-4-2-1-3-17(18)20/h1-8,15-16H,9-12H2/t15-,16-/m0/s1
InChIKeyHHMGZCOZDDCQCC-HOTGVXAUSA-N
XLogP4.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-[[(1R,3R)-3-(2-chlorophenyl)sulfonylcyclopentyl]oxymethyl]-2-fluorobenzene;(1-cyanocyclopropyl)carbamic acid
CID 90106537
trans-(1S,3S)-3-(2-chlorophenyl)sulfonylcyclopentan-1-ol
CID 90107100
3-[(4-chlorophenyl)methoxy]cyclopentan-1-amine
CID 79458134
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
(1S,2S,4S)-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxamide
CID 59619352
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
(1S,2S,4S)-2-[(4-chloro-2-fluorophenyl)methoxy]-4-(2-chlorophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 68793898
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
(1R,2R,5S)-2-chloro-5-phenylmethoxycyclohexan-1-amine
CID 10354246
(1S,2S,4S)-1-(2-carbamoyl-2-cyanocyclopropyl)-2-[(4-chloro-3-fluorophenyl)methoxy]-4-(2-chlorophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 66918598
4-(2-chlorophenyl)sulfonylazepane
CID 115070332

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene?
The IUPAC name of 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene (CID 90106767) is 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene.
What is the SMILES notation for 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene?
The canonical SMILES for 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene is O=S(=O)(c1ccccc1Cl)[C@H]1CC[C@H](OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene?
The InChIKey is HHMGZCOZDDCQCC-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H18Cl2O3S/c19-14-7-5-13(6-8-14)12-23-15-9-10-16(11-15)24(21,22)18-4-2-1-3-17(18)20/h1-8,15-16H,9-12H2/t15-,16-/m0/s1.
What are the key properties of 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene?
1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene has a molecular weight of 385.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1S,3S)-3-[(4-chlorophenyl)methoxy]cyclopentyl]sulfonylbenzene is sourced from PubChem (CID 90106767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).