N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide

C18H25NO4S — CID 3731753

IUPACN,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H25NO4S/c1-3-22-14-12-19(13-15-23-4-2)24(20,21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,3-4,12-15H2,1-2H3
InChIKeyGRAJSWZRRVSCRQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.90
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide

N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide (PubChem CID 3731753) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide
PubChem CID3731753
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC NameN,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C18H25NO4S/c1-3-22-14-12-19(13-15-23-4-2)24(20,21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,3-4,12-15H2,1-2H3
InChIKeyGRAJSWZRRVSCRQ-UHFFFAOYSA-N
XLogP2.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide (CID 3731753) is N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide?
The InChIKey is GRAJSWZRRVSCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-3-22-14-12-19(13-15-23-4-2)24(20,21)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,3-4,12-15H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide?
N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3731753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).