4-(3-methoxypropoxy)naphthalene-1-sulfonamide

C14H17NO4S — CID 60926106

IUPAC4-(3-methoxypropoxy)naphthalene-1-sulfonamide
SMILESCOCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C14H17NO4S/c1-18-9-4-10-19-13-7-8-14(20(15,16)17)12-6-3-2-5-11(12)13/h2-3,5-8H,4,9-10H2,1H3,(H2,15,16,17)
InChIKeyDZZKBFUBDILQLW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.90
Rot. Bonds6

About 4-(3-methoxypropoxy)naphthalene-1-sulfonamide

4-(3-methoxypropoxy)naphthalene-1-sulfonamide (PubChem CID 60926106) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(3-methoxypropoxy)naphthalene-1-sulfonamide
PubChem CID60926106
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-(3-methoxypropoxy)naphthalene-1-sulfonamide
SMILESCOCCCOc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C14H17NO4S/c1-18-9-4-10-19-13-7-8-14(20(15,16)17)12-6-3-2-5-11(12)13/h2-3,5-8H,4,9-10H2,1H3,(H2,15,16,17)
InChIKeyDZZKBFUBDILQLW-UHFFFAOYSA-N
XLogP1.90
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxynaphthalene-1-sulfonamide
CID 43342503
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
4-pent-4-enoxynaphthalene-1-sulfonamide
CID 82913570
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)naphthalene-1-sulfonamide?
The IUPAC name of 4-(3-methoxypropoxy)naphthalene-1-sulfonamide (CID 60926106) is 4-(3-methoxypropoxy)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(3-methoxypropoxy)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(3-methoxypropoxy)naphthalene-1-sulfonamide is COCCCOc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-(3-methoxypropoxy)naphthalene-1-sulfonamide?
The InChIKey is DZZKBFUBDILQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-9-4-10-19-13-7-8-14(20(15,16)17)12-6-3-2-5-11(12)13/h2-3,5-8H,4,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 4-(3-methoxypropoxy)naphthalene-1-sulfonamide?
4-(3-methoxypropoxy)naphthalene-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)naphthalene-1-sulfonamide is sourced from PubChem (CID 60926106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).