2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide

C14H13ClN2O2S — CID 81180680

IUPAC2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClN2O2S/c15-10-5-6-12(16)13(7-10)20(19)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyFPOXFBWGPDCBCA-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.33
Rot. Bonds4

About 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide

2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide (PubChem CID 81180680) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
PubChem CID81180680
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H13ClN2O2S/c15-10-5-6-12(16)13(7-10)20(19)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyFPOXFBWGPDCBCA-UHFFFAOYSA-N
XLogP2.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81179968
4-chloro-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655093
2-[(3-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81191234
2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81190861
4-chloro-2-[(2-chloro-4-methylphenyl)methylsulfinyl]aniline
CID 106870993
(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
CID 61322453
3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide
CID 61367289
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
4-bromo-2-[(4-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 114862881
4-chloro-2-propylsulfinylaniline
CID 81180931
5-chloro-2-[(2-methoxyphenyl)methylsulfinyl]aniline
CID 81176075

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide (CID 81180680) is 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide is NC(=O)c1ccccc1CS(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The InChIKey is FPOXFBWGPDCBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-5-6-12(16)13(7-10)20(19)8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide has a molecular weight of 308.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide is sourced from PubChem (CID 81180680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).