5-chloro-N-heptylnaphthalene-1-sulfonamide

C17H22ClNO2S — CID 5175

IUPAC5-chloro-N-heptylnaphthalene-1-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3
InChIKeyMJMJERJFCHYXEM-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.74
Rot. Bonds8

About 5-chloro-N-heptylnaphthalene-1-sulfonamide

5-chloro-N-heptylnaphthalene-1-sulfonamide (PubChem CID 5175) has the molecular formula C17H22ClNO2S and a molecular weight of 339.89 g/mol. Its IUPAC name is 5-chloro-N-heptylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-heptylnaphthalene-1-sulfonamide
PubChem CID5175
Molecular FormulaC17H22ClNO2S
Molecular Weight339.89 g/mol
Exact Mass339.11
IUPAC Name5-chloro-N-heptylnaphthalene-1-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3
InChIKeyMJMJERJFCHYXEM-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-chloro-N-heptylnaphthalene-1-sulfonamide?
The IUPAC name of 5-chloro-N-heptylnaphthalene-1-sulfonamide (CID 5175) is 5-chloro-N-heptylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-heptylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-chloro-N-heptylnaphthalene-1-sulfonamide is CCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-heptylnaphthalene-1-sulfonamide?
The InChIKey is MJMJERJFCHYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3.
What are the key properties of 5-chloro-N-heptylnaphthalene-1-sulfonamide?
5-chloro-N-heptylnaphthalene-1-sulfonamide has a molecular weight of 339.89 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-heptylnaphthalene-1-sulfonamide is sourced from PubChem (CID 5175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).