N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C14H11ClF3NO2S — CID 2412313

IUPACN-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO2S/c15-13-7-6-11(8-12(13)14(16,17)18)22(20,21)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyQJWJHGREFFPRIL-UHFFFAOYSA-N
MW349.76 g/mol
LogP3.84
Rot. Bonds4

About N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2412313) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2412313
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC NameN-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO2S/c15-13-7-6-11(8-12(13)14(16,17)18)22(20,21)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyQJWJHGREFFPRIL-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-chlorophenyl)methanesulfonamide
CID 1502244
N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
N-benzothioyl-4-chlorobenzenesulfonamide
CID 2305302
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2805808
4-chloro-N-phenethylbenzenesulfonamide
CID 722861
4-chloro-N-methyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4557473
(E)-N-[(2-chlorophenyl)methyl]-2-phenylethenesulfonamide
CID 5787255
N-[3-[(2-chlorophenyl)methylamino]propyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 168278042
N-benzyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 2443202
N-(4-Chloro-benzyl)-benzenesulfonamide
CID 706752

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 2412313) is N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QJWJHGREFFPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c15-13-7-6-11(8-12(13)14(16,17)18)22(20,21)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 349.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2412313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).