8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide

C18H13ClF3NO2S — CID 3868587

IUPAC8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C18H13ClF3NO2S/c19-15-8-2-5-13-6-3-9-16(17(13)15)26(24,25)23-11-12-4-1-7-14(10-12)18(20,21)22/h1-10,23H,11H2
InChIKeyLJXIARPNBMBJJE-UHFFFAOYSA-N
MW399.82 g/mol
LogP4.99
Rot. Bonds4

About 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide

8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide (PubChem CID 3868587) has the molecular formula C18H13ClF3NO2S and a molecular weight of 399.82 g/mol. Its IUPAC name is 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
PubChem CID3868587
Molecular FormulaC18H13ClF3NO2S
Molecular Weight399.82 g/mol
Exact Mass399.03
IUPAC Name8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C18H13ClF3NO2S/c19-15-8-2-5-13-6-3-9-16(17(13)15)26(24,25)23-11-12-4-1-7-14(10-12)18(20,21)22/h1-10,23H,11H2
InChIKeyLJXIARPNBMBJJE-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
2-chloro-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 7995386
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3709253
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
CID 25037675
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide (CID 3868587) is 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide is O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is LJXIARPNBMBJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO2S/c19-15-8-2-5-13-6-3-9-16(17(13)15)26(24,25)23-11-12-4-1-7-14(10-12)18(20,21)22/h1-10,23H,11H2.
What are the key properties of 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 399.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3868587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).