4-chloro-2-(3-methoxyphenyl)sulfanylaniline

C13H12ClNOS — CID 115469501

IUPAC4-chloro-2-(3-methoxyphenyl)sulfanylaniline
SMILESCOc1cccc(Sc2cc(Cl)ccc2N)c1
InChIInChI=1S/C13H12ClNOS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h2-8H,15H2,1H3
InChIKeyFWCXWEINSLSDOB-UHFFFAOYSA-N
MW265.77 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-2-(3-methoxyphenyl)sulfanylaniline

4-chloro-2-(3-methoxyphenyl)sulfanylaniline (PubChem CID 115469501) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)sulfanylaniline.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)sulfanylaniline
PubChem CID115469501
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name4-chloro-2-(3-methoxyphenyl)sulfanylaniline
SMILESCOc1cccc(Sc2cc(Cl)ccc2N)c1
InChIInChI=1S/C13H12ClNOS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h2-8H,15H2,1H3
InChIKeyFWCXWEINSLSDOB-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 63092064
2-(3-methoxyphenyl)sulfanyl-5-nitroaniline
CID 62506493
8-(3-methoxyphenyl)sulfanylisoquinolin-5-amine
CID 103140873
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
4-chloro-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 79527794
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
6-amino-5-(3-methoxyphenyl)sulfanyl-3H-1,3-benzoxazol-2-one
CID 115426022
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702
5-amino-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 61297850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)sulfanylaniline?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)sulfanylaniline (CID 115469501) is 4-chloro-2-(3-methoxyphenyl)sulfanylaniline.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)sulfanylaniline?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)sulfanylaniline is COc1cccc(Sc2cc(Cl)ccc2N)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)sulfanylaniline?
The InChIKey is FWCXWEINSLSDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-16-10-3-2-4-11(8-10)17-13-7-9(14)5-6-12(13)15/h2-8H,15H2,1H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)sulfanylaniline?
4-chloro-2-(3-methoxyphenyl)sulfanylaniline has a molecular weight of 265.77 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxyphenyl)sulfanylaniline is sourced from PubChem (CID 115469501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).