N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide

C19H23NO3S2 — CID 2913687

IUPACN-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S2/c1-24-16-13-11-15(12-14-16)23-19-10-6-5-9-18(19)20-25(21,22)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-20H,5-6,9-10H2,1H3
InChIKeyVYCWNEJVRUZLOC-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.08
Rot. Bonds6

About N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide

N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide (PubChem CID 2913687) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
PubChem CID2913687
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC NameN-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S2/c1-24-16-13-11-15(12-14-16)23-19-10-6-5-9-18(19)20-25(21,22)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-20H,5-6,9-10H2,1H3
InChIKeyVYCWNEJVRUZLOC-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
N-ethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811202
N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 5142185
4-chloro-N-{2-[4-(methylthio)phenoxy]cyclohexyl}benzenesulfonamide
CID 2912934
4-{2-[(methylsulfonyl)amino]ethoxy}-N-(2-phenoxyethyl)benzenesulfonamide
CID 4919376
4-ethoxy-N-[2-(phenylthio)ethyl]benzenesulfonamide
CID 2197793
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
4-phenoxy-N-[(1R,2S)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682766
4-phenoxy-N-[(1S,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682767
4-phenoxy-N-[(1S,2S)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682915
4-phenoxy-N-[(1R,2R)-2-sulfanylcyclopentyl]benzenesulfonamide
CID 71682916
N-cyclopentyl-4-ethoxybenzenesulfonamide
CID 893506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide (CID 2913687) is N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide is CSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
The InChIKey is VYCWNEJVRUZLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S2/c1-24-16-13-11-15(12-14-16)23-19-10-6-5-9-18(19)20-25(21,22)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-20H,5-6,9-10H2,1H3.
What are the key properties of N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide?
N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2913687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).