4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline

C11H7ClF2N2S — CID 79840737

IUPAC4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
SMILESNc1cc(F)c(Sc2ccncc2Cl)c(F)c1
InChIInChI=1S/C11H7ClF2N2S/c12-7-5-16-2-1-10(7)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2
InChIKeyPNXSBLJPLDFDTL-UHFFFAOYSA-N
MW272.71 g/mol
LogP3.75
Rot. Bonds2

About 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline

4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline (PubChem CID 79840737) has the molecular formula C11H7ClF2N2S and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
PubChem CID79840737
Molecular FormulaC11H7ClF2N2S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
SMILESNc1cc(F)c(Sc2ccncc2Cl)c(F)c1
InChIInChI=1S/C11H7ClF2N2S/c12-7-5-16-2-1-10(7)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2
InChIKeyPNXSBLJPLDFDTL-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline 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

4-(4-amino-2,6-difluorophenyl)sulfanyl-3-chlorobenzonitrile
CID 55180242
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
3,5-difluoro-4-quinolin-4-ylsulfanylaniline
CID 61371227
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3,5-difluoroaniline
CID 61371607
4-(4-bromophenyl)sulfanyl-3,5-difluoroaniline
CID 54902494
3-chloro-4-propan-2-ylsulfanylpyridine
CID 23436924
4-chloro-3-fluoroaniline
CID 2736511
4-[(3,4-dichlorophenyl)methylsulfanyl]-3,5-difluoroaniline
CID 63462164
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline (CID 79840737) is 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline is Nc1cc(F)c(Sc2ccncc2Cl)c(F)c1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline?
The InChIKey is PNXSBLJPLDFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2S/c12-7-5-16-2-1-10(7)17-11-8(13)3-6(15)4-9(11)14/h1-5H,15H2.
What are the key properties of 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline?
4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline has a molecular weight of 272.71 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline is sourced from PubChem (CID 79840737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).