N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide

C26H47N3O3S — CID 19873399

IUPACN-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide
SMILESCCCCCCCCC(C)NCC(O)c1cc(N(C)C)ccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C26H47N3O3S/c1-5-6-7-8-9-11-14-21(2)27-20-26(30)24-19-22(29(3)4)17-18-25(24)28-33(31,32)23-15-12-10-13-16-23/h17-19,21,23,26-28,30H,5-16,20H2,1-4H3
InChIKeyDKOPEYVETRBLEI-UHFFFAOYSA-N
MW481.75 g/mol
LogP5.59
Rot. Bonds15

About N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide

N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide (PubChem CID 19873399) has the molecular formula C26H47N3O3S and a molecular weight of 481.75 g/mol. Its IUPAC name is N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide
PubChem CID19873399
Molecular FormulaC26H47N3O3S
Molecular Weight481.75 g/mol
Exact Mass481.33
IUPAC NameN-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide
SMILESCCCCCCCCC(C)NCC(O)c1cc(N(C)C)ccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C26H47N3O3S/c1-5-6-7-8-9-11-14-21(2)27-20-26(30)24-19-22(29(3)4)17-18-25(24)28-33(31,32)23-15-12-10-13-16-23/h17-19,21,23,26-28,30H,5-16,20H2,1-4H3
InChIKeyDKOPEYVETRBLEI-UHFFFAOYSA-N
XLogP5.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.75
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide (CID 19873399) is N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide is CCCCCCCCC(C)NCC(O)c1cc(N(C)C)ccc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide?
The InChIKey is DKOPEYVETRBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O3S/c1-5-6-7-8-9-11-14-21(2)27-20-26(30)24-19-22(29(3)4)17-18-25(24)28-33(31,32)23-15-12-10-13-16-23/h17-19,21,23,26-28,30H,5-16,20H2,1-4H3.
What are the key properties of N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide?
N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide has a molecular weight of 481.75 g/mol, XLogP of 5.59, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(decan-2-ylamino)-1-hydroxyethyl]-4-(dimethylamino)phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 19873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).