8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide

C17H12Cl2FNO2S — CID 3840065

IUPAC8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1Cl)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H12Cl2FNO2S/c18-13-6-3-8-15(20)12(13)10-21-24(22,23)16-9-2-5-11-4-1-7-14(19)17(11)16/h1-9,21H,10H2
InChIKeyNEGVHWLZWHLXQX-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.76
Rot. Bonds4

About 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide

8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 3840065) has the molecular formula C17H12Cl2FNO2S and a molecular weight of 384.26 g/mol. Its IUPAC name is 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
PubChem CID3840065
Molecular FormulaC17H12Cl2FNO2S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1Cl)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H12Cl2FNO2S/c18-13-6-3-8-15(20)12(13)10-21-24(22,23)16-9-2-5-11-4-1-7-14(19)17(11)16/h1-9,21H,10H2
InChIKeyNEGVHWLZWHLXQX-UHFFFAOYSA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
CID 3451812
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
CID 25037675
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 5239900
8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
CID 5178973
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
2-[(2-chloro-6-fluorophenyl)methylsulfamoyl]cyclobutane-1-carboxylic acid
CID 166333150
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
CID 3842166
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide (CID 3840065) is 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide is O=S(=O)(NCc1c(F)cccc1Cl)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is NEGVHWLZWHLXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FNO2S/c18-13-6-3-8-15(20)12(13)10-21-24(22,23)16-9-2-5-11-4-1-7-14(19)17(11)16/h1-9,21H,10H2.
What are the key properties of 8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide?
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 384.26 g/mol, XLogP of 4.76, 4 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-6-fluorophenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3840065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).