N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C17H12ClF3N2O2S — CID 132515096

IUPACN-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1c(Cl)ccc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c18-15-8-3-11-2-1-9-22-16(11)14(15)10-23-26(24,25)13-6-4-12(5-7-13)17(19,20)21/h1-9,23H,10H2
InChIKeySNKQGZFMBNPPNQ-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.39
Rot. Bonds4

About N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 132515096) has the molecular formula C17H12ClF3N2O2S and a molecular weight of 400.81 g/mol. Its IUPAC name is N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID132515096
Molecular FormulaC17H12ClF3N2O2S
Molecular Weight400.81 g/mol
Exact Mass400.03
IUPAC NameN-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1c(Cl)ccc2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c18-15-8-3-11-2-1-9-22-16(11)14(15)10-23-26(24,25)13-6-4-12(5-7-13)17(19,20)21/h1-9,23H,10H2
InChIKeySNKQGZFMBNPPNQ-UHFFFAOYSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

KM11060
CID 1241327
4-(4-Chlorophenyl)-7-fluoro-3-[(4-fluorophenyl)sulfonyl]quinoline
CID 25167449
4-(4-Chlorophenyl)-3-(3,4-difluorophenyl)sulfonyl-7-fluoroquinoline
CID 57577121
7-Chloro-4-(4-chlorophenyl)-3-(4-fluorophenyl)sulfonylquinoline
CID 57577215
4-(4-Chlorophenyl)-6-fluoro-3-(4-fluorophenyl)sulfonylquinoline
CID 57577253
N-(4-chlorobenzyl)quinoline-8-sulfonamide
CID 16195529
7-Chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline
CID 1284909
4-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 4791777
4-(6-Chloro-3-piperidin-4-yl-indole-1-sulfonyl)-phenylamine
CID 44388956
4-((4-(3-Chloro-4-fluorophenylamino)-3-cyanoquinolin-6-ylamino)methyl)benzenesulfonamide
CID 44420091
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]quinoline-8-sulfonamide
CID 44544575
N-(2-chloro-5-quinolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 44609075

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 132515096) is N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1c(Cl)ccc2cccnc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SNKQGZFMBNPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2S/c18-15-8-3-11-2-1-9-22-16(11)14(15)10-23-26(24,25)13-6-4-12(5-7-13)17(19,20)21/h1-9,23H,10H2.
What are the key properties of N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 400.81 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroquinolin-8-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 132515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).