N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide

C20H25FN2O2S2 — CID 7491212

IUPACN-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2S2/c1-15(16-8-10-17(21)11-9-16)26-20-13-12-19(14-22-20)27(24,25)23(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3/t15-/m1/s1
InChIKeyNBVVWENULCEJLA-OAHLLOKOSA-N
MW408.56 g/mol
LogP5.03
Rot. Bonds6

About N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide

N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide (PubChem CID 7491212) has the molecular formula C20H25FN2O2S2 and a molecular weight of 408.56 g/mol. Its IUPAC name is N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
PubChem CID7491212
Molecular FormulaC20H25FN2O2S2
Molecular Weight408.56 g/mol
Exact Mass408.13
IUPAC NameN-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O2S2/c1-15(16-8-10-17(21)11-9-16)26-20-13-12-19(14-22-20)27(24,25)23(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3/t15-/m1/s1
InChIKeyNBVVWENULCEJLA-OAHLLOKOSA-N
XLogP5.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide with MolForge

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Related Compounds

(2S)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 25312465
N-cyclohexyl-6-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 45352232
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7774961
(2R)-N-carbamoyl-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-3-methylbutanamide
CID 40938897
1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 25409396
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-prop-2-enylpropanamide
CID 42894237
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41403410
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
N-cyclohexyl-N-methyl-6-[2-(4-methylphenoxy)ethylsulfanyl]pyridine-3-sulfonamide
CID 7491182
N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
CID 7778877

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide (CID 7491212) is N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide is C[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide?
The InChIKey is NBVVWENULCEJLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN2O2S2/c1-15(16-8-10-17(21)11-9-16)26-20-13-12-19(14-22-20)27(24,25)23(2)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3/t15-/m1/s1.
What are the key properties of N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide?
N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide has a molecular weight of 408.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 7491212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).