N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide

C20H17ClFNO2S2 — CID 100692131

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO2S2/c1-14-12-17(22)10-11-20(14)27(24,25)23-18-4-2-3-5-19(18)26-13-15-6-8-16(21)9-7-15/h2-12,23H,13H2,1H3
InChIKeyDJLMICPDLTYSCM-UHFFFAOYSA-N
MW421.95 g/mol
LogP5.88
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 100692131) has the molecular formula C20H17ClFNO2S2 and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID100692131
Molecular FormulaC20H17ClFNO2S2
Molecular Weight421.95 g/mol
Exact Mass421.04
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO2S2/c1-14-12-17(22)10-11-20(14)27(24,25)23-18-4-2-3-5-19(18)26-13-15-6-8-16(21)9-7-15/h2-12,23H,13H2,1H3
InChIKeyDJLMICPDLTYSCM-UHFFFAOYSA-N
XLogP5.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100718396
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
2-bromo-4-fluoro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 47309798
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100732919
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 100692131) is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is DJLMICPDLTYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2S2/c1-14-12-17(22)10-11-20(14)27(24,25)23-18-4-2-3-5-19(18)26-13-15-6-8-16(21)9-7-15/h2-12,23H,13H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 100692131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).