N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide

C24H40N2O6S — CID 71713638

IUPACN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
InChIInChI=1S/C24H40N2O6S/c27-18-21-23(29)24(30)22(28)17-25(21)15-9-1-2-10-16-26(19-11-5-3-6-12-19)33(31,32)20-13-7-4-8-14-20/h4,7-8,13-14,19,21-24,27-30H,1-3,5-6,9-12,15-18H2/t21-,22+,23-,24-/m1/s1
InChIKeyDJFNUHQLIVGXTD-UEQSERJNSA-N
MW484.66 g/mol
LogP1.33
Rot. Bonds11

About N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide

N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide (PubChem CID 71713638) has the molecular formula C24H40N2O6S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide
PubChem CID71713638
Molecular FormulaC24H40N2O6S
Molecular Weight484.66 g/mol
Exact Mass484.26
IUPAC NameN-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1
InChIInChI=1S/C24H40N2O6S/c27-18-21-23(29)24(30)22(28)17-25(21)15-9-1-2-10-16-26(19-11-5-3-6-12-19)33(31,32)20-13-7-4-8-14-20/h4,7-8,13-14,19,21-24,27-30H,1-3,5-6,9-12,15-18H2/t21-,22+,23-,24-/m1/s1
InChIKeyDJFNUHQLIVGXTD-UEQSERJNSA-N
XLogP1.33
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide (CID 71713638) is N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide?
The InChIKey is DJFNUHQLIVGXTD-UEQSERJNSA-N. The full InChI is InChI=1S/C24H40N2O6S/c27-18-21-23(29)24(30)22(28)17-25(21)15-9-1-2-10-16-26(19-11-5-3-6-12-19)33(31,32)20-13-7-4-8-14-20/h4,7-8,13-14,19,21-24,27-30H,1-3,5-6,9-12,15-18H2/t21-,22+,23-,24-/m1/s1.
What are the key properties of N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide?
N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide has a molecular weight of 484.66 g/mol, XLogP of 1.33, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]benzenesulfonamide is sourced from PubChem (CID 71713638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).