4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide

C14H13ClN2O2S — CID 81179968

IUPAC4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
SMILESNC(=O)c1ccc(CS(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-11-5-6-12(16)13(7-11)20(19)8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyZTIKXWWLTXMKDT-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.33
Rot. Bonds4

About 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide

4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide (PubChem CID 81179968) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
PubChem CID81179968
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
SMILESNC(=O)c1ccc(CS(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-11-5-6-12(16)13(7-11)20(19)8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyZTIKXWWLTXMKDT-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

2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
CID 81175311
4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
4-chloro-2-propylsulfinylaniline
CID 81180931
3-[(2-aminophenyl)sulfinylmethyl]-4-fluorobenzamide
CID 61367289
4-[(4-carbamoylphenyl)methylsulfinyl]benzoic acid
CID 60709196
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-chloro-2-[(2-chloro-4-methylphenyl)methylsulfinyl]aniline
CID 106870993
4-chloro-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655093
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The IUPAC name of 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide (CID 81179968) is 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide.
What is the SMILES notation for 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The canonical SMILES for 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide is NC(=O)c1ccc(CS(=O)c2cc(Cl)ccc2N)cc1.
What is the InChIKey of 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
The InChIKey is ZTIKXWWLTXMKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-11-5-6-12(16)13(7-11)20(19)8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide?
4-[(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 4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide is sourced from PubChem (CID 81179968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).