N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium

C25H46NO7PS — CID 163807610

IUPACN-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
SMILESCCCCCCCCCCS(=O)(=O)N[C@@H](CO)CCCC.O=[P+]([O-])OCCOCc1ccccc1
InChIInChI=1S/C16H35NO3S.C9H11O4P/c1-3-5-7-8-9-10-11-12-14-21(19,20)17-16(15-18)13-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h16-18H,3-15H2,1-2H3;1-5H,6-8H2/t16-;/m1./s1
InChIKeyNKJMFFJUELNBNC-PKLMIRHRSA-N
MW535.68 g/mol
LogP4.84
Rot. Bonds21

About N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium

N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium (PubChem CID 163807610) has the molecular formula C25H46NO7PS and a molecular weight of 535.68 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
PubChem CID163807610
Molecular FormulaC25H46NO7PS
Molecular Weight535.68 g/mol
Exact Mass535.27
IUPAC NameN-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
SMILESCCCCCCCCCCS(=O)(=O)N[C@@H](CO)CCCC.O=[P+]([O-])OCCOCc1ccccc1
InChIInChI=1S/C16H35NO3S.C9H11O4P/c1-3-5-7-8-9-10-11-12-14-21(19,20)17-16(15-18)13-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h16-18H,3-15H2,1-2H3;1-5H,6-8H2/t16-;/m1./s1
InChIKeyNKJMFFJUELNBNC-PKLMIRHRSA-N
XLogP4.84
TPSA124.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.68
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxydecan-2-yl)decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 161269109
N-(1-hydroxyoctan-2-yl)dodecanamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 159166605
CID 67677271
CID 67677271
CID 67676733
CID 67676733
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide
CID 23202661
[4-(hexylsulfonylamino)-1,3-dihydroxy-2-phenylmethoxydecyl]phosphonic acid
CID 67677785
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium (CID 163807610) is N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium.
What is the SMILES notation for N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The canonical SMILES for N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium is CCCCCCCCCCS(=O)(=O)N[C@@H](CO)CCCC.O=[P+]([O-])OCCOCc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
The InChIKey is NKJMFFJUELNBNC-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H35NO3S.C9H11O4P/c1-3-5-7-8-9-10-11-12-14-21(19,20)17-16(15-18)13-6-4-2;10-14(11)13-7-6-12-8-9-4-2-1-3-5-9/h16-18H,3-15H2,1-2H3;1-5H,6-8H2/t16-;/m1./s1.
What are the key properties of N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium?
N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium has a molecular weight of 535.68 g/mol, XLogP of 4.84, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyhexan-2-yl]decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium is sourced from PubChem (CID 163807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).