2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide

C12H15ClN2O3S — CID 59393586

IUPAC2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
SMILESCc1cc(Cl)cc(C(=O)NC2(C)CS(=O)(=O)C2)c1N
InChIInChI=1S/C12H15ClN2O3S/c1-7-3-8(13)4-9(10(7)14)11(16)15-12(2)5-19(17,18)6-12/h3-4H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyHJOJNOGRQLNJAU-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.15
Rot. Bonds2

About 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide

2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide (PubChem CID 59393586) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
PubChem CID59393586
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
SMILESCc1cc(Cl)cc(C(=O)NC2(C)CS(=O)(=O)C2)c1N
InChIInChI=1S/C12H15ClN2O3S/c1-7-3-8(13)4-9(10(7)14)11(16)15-12(2)5-19(17,18)6-12/h3-4H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyHJOJNOGRQLNJAU-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide?
The IUPAC name of 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide (CID 59393586) is 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide is Cc1cc(Cl)cc(C(=O)NC2(C)CS(=O)(=O)C2)c1N.
What is the InChIKey of 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide?
The InChIKey is HJOJNOGRQLNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-7-3-8(13)4-9(10(7)14)11(16)15-12(2)5-19(17,18)6-12/h3-4H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide?
2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide has a molecular weight of 302.78 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide is sourced from PubChem (CID 59393586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).