5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide

C14H13ClN2O2S — CID 107198624

IUPAC5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
SMILESCOc1ccccc1Sc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-4-2-3-5-12(11)20-13-9(14(17)18)6-8(16)7-10(13)15/h2-7H,16H2,1H3,(H2,17,18)
InChIKeySGCKFDJWLONYTF-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.18
Rot. Bonds4

About 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide

5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide (PubChem CID 107198624) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
PubChem CID107198624
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
SMILESCOc1ccccc1Sc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13ClN2O2S/c1-19-11-4-2-3-5-12(11)20-13-9(14(17)18)6-8(16)7-10(13)15/h2-7H,16H2,1H3,(H2,17,18)
InChIKeySGCKFDJWLONYTF-UHFFFAOYSA-N
XLogP3.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzamide
CID 107198405
5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
CID 107198489
5-amino-3-chloro-2-(2-chlorophenyl)sulfanylbenzoic acid
CID 107198419
ethyl 5-amino-3-chloro-2-(2-chlorophenyl)sulfanylbenzoate
CID 107198413
5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235
5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide
CID 107198338
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
CID 114070766
5-amino-3-chloro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 107198513
methyl 5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzoate
CID 107198403
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
CID 107198568
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide (CID 107198624) is 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide is COc1ccccc1Sc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide?
The InChIKey is SGCKFDJWLONYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-11-4-2-3-5-12(11)20-13-9(14(17)18)6-8(16)7-10(13)15/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide?
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide has a molecular weight of 308.79 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide is sourced from PubChem (CID 107198624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).