5-acetamidonaphthalene-1-sulfonyl chloride

C12H10ClNO3S — CID 5010306

IUPAC5-acetamidonaphthalene-1-sulfonyl chloride
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C12H10ClNO3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15)
InChIKeySCMTYCKLUSZRPQ-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.73
Rot. Bonds2

About 5-acetamidonaphthalene-1-sulfonyl chloride

5-acetamidonaphthalene-1-sulfonyl chloride (PubChem CID 5010306) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-acetamidonaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-acetamidonaphthalene-1-sulfonyl chloride
PubChem CID5010306
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name5-acetamidonaphthalene-1-sulfonyl chloride
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C12H10ClNO3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15)
InChIKeySCMTYCKLUSZRPQ-UHFFFAOYSA-N
XLogP2.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamidonaphthalene-1-sulfonyl chloride?
The IUPAC name of 5-acetamidonaphthalene-1-sulfonyl chloride (CID 5010306) is 5-acetamidonaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-acetamidonaphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-acetamidonaphthalene-1-sulfonyl chloride is CC(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12.
What is the InChIKey of 5-acetamidonaphthalene-1-sulfonyl chloride?
The InChIKey is SCMTYCKLUSZRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-8(15)14-11-6-2-5-10-9(11)4-3-7-12(10)18(13,16)17/h2-7H,1H3,(H,14,15).
What are the key properties of 5-acetamidonaphthalene-1-sulfonyl chloride?
5-acetamidonaphthalene-1-sulfonyl chloride has a molecular weight of 283.74 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamidonaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 5010306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).