3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide

C24H44N2O3S — CID 3578870

IUPAC3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C24H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-24-19-18-22(21-23(24)25)30(27,28)26(2)3/h18-19,21H,4-17,20,25H2,1-3H3
InChIKeySIIVTNVVZIFVLS-UHFFFAOYSA-N
MW440.69 g/mol
LogP6.38
Rot. Bonds18

About 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide

3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 3578870) has the molecular formula C24H44N2O3S and a molecular weight of 440.69 g/mol. Its IUPAC name is 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
PubChem CID3578870
Molecular FormulaC24H44N2O3S
Molecular Weight440.69 g/mol
Exact Mass440.31
IUPAC Name3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
SMILESCCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N
InChIInChI=1S/C24H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-24-19-18-22(21-23(24)25)30(27,28)26(2)3/h18-19,21H,4-17,20,25H2,1-3H3
InChIKeySIIVTNVVZIFVLS-UHFFFAOYSA-N
XLogP6.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.69
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
4-amino-3-(3-hydroxypropoxy)-N,N-dimethylbenzenesulfonamide
CID 82901321
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
5-chloro-2-decoxyaniline
CID 55187694
5-bromo-2-hexoxyaniline
CID 28994958
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
5-methoxy-2-nonoxyaniline
CID 43128995

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide (CID 3578870) is 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide is CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is SIIVTNVVZIFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-24-19-18-22(21-23(24)25)30(27,28)26(2)3/h18-19,21H,4-17,20,25H2,1-3H3.
What are the key properties of 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide?
3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 440.69 g/mol, XLogP of 6.38, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3578870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).