4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide

C17H25NO4S — CID 94606731

IUPAC4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1COCCO1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25NO4S/c19-23(20,18-12-16-13-21-10-11-22-16)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-9,14,16,18H,1-5,10-13H2/t16-/m0/s1
InChIKeyGWTQQQGPHXFSAR-INIZCTEOSA-N
MW339.46 g/mol
LogP2.43
Rot. Bonds5

About 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide

4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide (PubChem CID 94606731) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
PubChem CID94606731
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1COCCO1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H25NO4S/c19-23(20,18-12-16-13-21-10-11-22-16)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-9,14,16,18H,1-5,10-13H2/t16-/m0/s1
InChIKeyGWTQQQGPHXFSAR-INIZCTEOSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
CID 106016674
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
N-(1,4-dioxan-2-ylmethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106016670
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-fluoro-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 97180789
N-(cyclohexen-1-ylmethyl)-4-cyclohexylbenzenesulfonamide
CID 25248828
N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 114134433
N-(1,4-dioxan-2-ylmethyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106016710

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide (CID 94606731) is 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1COCCO1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide?
The InChIKey is GWTQQQGPHXFSAR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO4S/c19-23(20,18-12-16-13-21-10-11-22-16)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h6-9,14,16,18H,1-5,10-13H2/t16-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide?
4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 94606731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).