N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide

C37H53NO3S — CID 23202661

IUPACN-(1-trityloxyoctan-2-yl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H53NO3S/c1-3-5-7-9-10-11-12-23-31-42(39,40)38-36(30-22-8-6-4-2)32-41-37(33-24-16-13-17-25-33,34-26-18-14-19-27-34)35-28-20-15-21-29-35/h13-21,24-29,36,38H,3-12,22-23,30-32H2,1-2H3
InChIKeyFFNNWEVQLAAVMW-UHFFFAOYSA-N
MW591.90 g/mol
LogP9.39
Rot. Bonds22

About N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide

N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide (PubChem CID 23202661) has the molecular formula C37H53NO3S and a molecular weight of 591.90 g/mol. Its IUPAC name is N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-trityloxyoctan-2-yl)decane-1-sulfonamide
PubChem CID23202661
Molecular FormulaC37H53NO3S
Molecular Weight591.90 g/mol
Exact Mass591.37
IUPAC NameN-(1-trityloxyoctan-2-yl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)NC(CCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H53NO3S/c1-3-5-7-9-10-11-12-23-31-42(39,40)38-36(30-22-8-6-4-2)32-41-37(33-24-16-13-17-25-33,34-26-18-14-19-27-34)35-28-20-15-21-29-35/h13-21,24-29,36,38H,3-12,22-23,30-32H2,1-2H3
InChIKeyFFNNWEVQLAAVMW-UHFFFAOYSA-N
XLogP9.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.90
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3S,4R)-3,4-bis(phenylmethoxy)-1-trityloxyoctadecan-2-yl]pentacosane-1-sulfonamide
CID 139902688
1-trityloxyoctadecan-2-ol
CID 10436974
CID 67677271
CID 67677271
CID 67676733
CID 67676733
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
N-(1-hydroxydecan-2-yl)decane-1-sulfonamide;oxido-oxo-(2-phenylmethoxyethoxy)phosphanium
CID 161269109
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120

Frequently Asked Questions

What is the IUPAC name of N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide?
The IUPAC name of N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide (CID 23202661) is N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide.
What is the SMILES notation for N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide?
The canonical SMILES for N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide is CCCCCCCCCCS(=O)(=O)NC(CCCCCC)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide?
The InChIKey is FFNNWEVQLAAVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53NO3S/c1-3-5-7-9-10-11-12-23-31-42(39,40)38-36(30-22-8-6-4-2)32-41-37(33-24-16-13-17-25-33,34-26-18-14-19-27-34)35-28-20-15-21-29-35/h13-21,24-29,36,38H,3-12,22-23,30-32H2,1-2H3.
What are the key properties of N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide?
N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide has a molecular weight of 591.90 g/mol, XLogP of 9.39, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-trityloxyoctan-2-yl)decane-1-sulfonamide is sourced from PubChem (CID 23202661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).