N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide

C19H24N4O5S — CID 2748883

IUPACN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C19H24N4O5S/c1-16-6-8-17(9-7-16)29(24,25)22-18-4-2-3-5-19(18)28-15-14-27-13-12-26-11-10-21-23-20/h2-9,22H,10-15H2,1H3
InChIKeyPXWHNJRQMXCERF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.52
Rot. Bonds13

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 2748883) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID2748883
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCOCCOCCN=[N+]=[N-])cc1
InChIInChI=1S/C19H24N4O5S/c1-16-6-8-17(9-7-16)29(24,25)22-18-4-2-3-5-19(18)28-15-14-27-13-12-26-11-10-21-23-20/h2-9,22H,10-15H2,1H3
InChIKeyPXWHNJRQMXCERF-UHFFFAOYSA-N
XLogP3.52
TPSA122.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 169370607
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-2-nitropyridine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate;2-nitropyridin-3-ol
CID 158294345
N-[2-[2-(2-azidophenyl)ethynyl]phenyl]-4-methylbenzenesulfonamide
CID 132505957
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 169372163

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide (CID 2748883) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2OCCOCCOCCN=[N+]=[N-])cc1.
What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PXWHNJRQMXCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-16-6-8-17(9-7-16)29(24,25)22-18-4-2-3-5-19(18)28-15-14-27-13-12-26-11-10-21-23-20/h2-9,22H,10-15H2,1H3.
What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide?
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 3.52, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2748883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).