4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide

C18H19ClFNO2S2 — CID 2198514

IUPAC4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO2S2/c19-13-5-11-16(12-6-13)25(22,23)21-17-3-1-2-4-18(17)24-15-9-7-14(20)8-10-15/h5-12,17-18,21H,1-4H2/t17-,18-/m1/s1
InChIKeyFVXSYGFMACEWJH-QZTJIDSGSA-N
MW399.94 g/mol
LogP4.86
Rot. Bonds5

About 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide

4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide (PubChem CID 2198514) has the molecular formula C18H19ClFNO2S2 and a molecular weight of 399.94 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
PubChem CID2198514
Molecular FormulaC18H19ClFNO2S2
Molecular Weight399.94 g/mol
Exact Mass399.05
IUPAC Name4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFNO2S2/c19-13-5-11-16(12-6-13)25(22,23)21-17-3-1-2-4-18(17)24-15-9-7-14(20)8-10-15/h5-12,17-18,21H,1-4H2/t17-,18-/m1/s1
InChIKeyFVXSYGFMACEWJH-QZTJIDSGSA-N
XLogP4.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
CID 1167631
4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 1081831
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 23604963
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 135931350
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide (CID 2198514) is 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide?
The InChIKey is FVXSYGFMACEWJH-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19ClFNO2S2/c19-13-5-11-16(12-6-13)25(22,23)21-17-3-1-2-4-18(17)24-15-9-7-14(20)8-10-15/h5-12,17-18,21H,1-4H2/t17-,18-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide?
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide has a molecular weight of 399.94 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2198514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).