5-(butanoylamino)naphthalene-1-sulfonyl chloride

C14H14ClNO3S — CID 2757354

IUPAC5-(butanoylamino)naphthalene-1-sulfonyl chloride
SMILESCCCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C14H14ClNO3S/c1-2-5-14(17)16-12-8-3-7-11-10(12)6-4-9-13(11)20(15,18)19/h3-4,6-9H,2,5H2,1H3,(H,16,17)
InChIKeyZYWSRQWFHZXWGL-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.51
Rot. Bonds4

About 5-(butanoylamino)naphthalene-1-sulfonyl chloride

5-(butanoylamino)naphthalene-1-sulfonyl chloride (PubChem CID 2757354) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(butanoylamino)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(butanoylamino)naphthalene-1-sulfonyl chloride
PubChem CID2757354
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name5-(butanoylamino)naphthalene-1-sulfonyl chloride
SMILESCCCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C14H14ClNO3S/c1-2-5-14(17)16-12-8-3-7-11-10(12)6-4-9-13(11)20(15,18)19/h3-4,6-9H,2,5H2,1H3,(H,16,17)
InChIKeyZYWSRQWFHZXWGL-UHFFFAOYSA-N
XLogP3.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-(butanoylamino)naphthalene-1-sulfonyl chloride (CID 2757354) is 5-(butanoylamino)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-(butanoylamino)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-(butanoylamino)naphthalene-1-sulfonyl chloride is CCCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12.
What is the InChIKey of 5-(butanoylamino)naphthalene-1-sulfonyl chloride?
The InChIKey is ZYWSRQWFHZXWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-2-5-14(17)16-12-8-3-7-11-10(12)6-4-9-13(11)20(15,18)19/h3-4,6-9H,2,5H2,1H3,(H,16,17).
What are the key properties of 5-(butanoylamino)naphthalene-1-sulfonyl chloride?
5-(butanoylamino)naphthalene-1-sulfonyl chloride has a molecular weight of 311.79 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 2757354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).