8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide

C17H12Cl2FNO2S — CID 3583648

IUPAC8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccc(Cl)c23)c(Cl)cc1F
InChIInChI=1S/C17H12Cl2FNO2S/c1-10-8-15(13(19)9-14(10)20)21-24(22,23)16-7-3-5-11-4-2-6-12(18)17(11)16/h2-9,21H,1H3
InChIKeyPRUNGDMICRUPPL-UHFFFAOYSA-N
MW384.26 g/mol
LogP5.39
Rot. Bonds3

About 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide

8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide (PubChem CID 3583648) has the molecular formula C17H12Cl2FNO2S and a molecular weight of 384.26 g/mol. Its IUPAC name is 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide
PubChem CID3583648
Molecular FormulaC17H12Cl2FNO2S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccc(Cl)c23)c(Cl)cc1F
InChIInChI=1S/C17H12Cl2FNO2S/c1-10-8-15(13(19)9-14(10)20)21-24(22,23)16-7-3-5-11-4-2-6-12(18)17(11)16/h2-9,21H,1H3
InChIKeyPRUNGDMICRUPPL-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide (CID 3583648) is 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide is Cc1cc(NS(=O)(=O)c2cccc3cccc(Cl)c23)c(Cl)cc1F.
What is the InChIKey of 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide?
The InChIKey is PRUNGDMICRUPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO2S/c1-10-8-15(13(19)9-14(10)20)21-24(22,23)16-7-3-5-11-4-2-6-12(18)17(11)16/h2-9,21H,1H3.
What are the key properties of 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide?
8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide has a molecular weight of 384.26 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).