8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

C17H11ClF3NO2S — CID 3709253

IUPAC8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H11ClF3NO2S/c18-14-5-1-3-11-4-2-6-15(16(11)14)25(23,24)22-13-9-7-12(8-10-13)17(19,20)21/h1-10,22H
InChIKeyFFRHOUOILFTUSW-UHFFFAOYSA-N
MW385.79 g/mol
LogP5.31
Rot. Bonds3

About 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (PubChem CID 3709253) has the molecular formula C17H11ClF3NO2S and a molecular weight of 385.79 g/mol. Its IUPAC name is 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
PubChem CID3709253
Molecular FormulaC17H11ClF3NO2S
Molecular Weight385.79 g/mol
Exact Mass385.02
IUPAC Name8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccc(Cl)c12
InChIInChI=1S/C17H11ClF3NO2S/c18-14-5-1-3-11-4-2-6-15(16(11)14)25(23,24)22-13-9-7-12(8-10-13)17(19,20)21/h1-10,22H
InChIKeyFFRHOUOILFTUSW-UHFFFAOYSA-N
XLogP5.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.79
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
8-chloro-N-[2-(trifluoromethoxy)phenyl]naphthalene-1-sulfonamide
CID 3788061
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
8-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]naphthalene-1-sulfonamide
CID 25047106
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (CID 3709253) is 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is FFRHOUOILFTUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO2S/c18-14-5-1-3-11-4-2-6-15(16(11)14)25(23,24)22-13-9-7-12(8-10-13)17(19,20)21/h1-10,22H.
What are the key properties of 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 385.79 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[4-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3709253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).