2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide

C9H11FN2OS — CID 167232867

IUPAC2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide
SMILESCN(C)C(=O)c1cc(S)c(F)cc1N
InChIInChI=1S/C9H11FN2OS/c1-12(2)9(13)5-3-8(14)6(10)4-7(5)11/h3-4,14H,11H2,1-2H3
InChIKeyAPUYUKXTPSLUML-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.40
Rot. Bonds1

About 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide

2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide (PubChem CID 167232867) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide
PubChem CID167232867
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide
SMILESCN(C)C(=O)c1cc(S)c(F)cc1N
InChIInChI=1S/C9H11FN2OS/c1-12(2)9(13)5-3-8(14)6(10)4-7(5)11/h3-4,14H,11H2,1-2H3
InChIKeyAPUYUKXTPSLUML-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-5-sulfanylbenzoic acid
CID 70115569
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
4,5-diamino-2-fluorobenzenethiol
CID 67979517
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
4-amino-2-chloro-5-(dimethylcarbamoyl)benzenesulfonic acid
CID 21411373
N,N,4-trimethyl-2-sulfanylbenzamide
CID 19856182
2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
2-amino-4,5-difluorobenzamide
CID 16640510
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746
4-amino-3-fluoro-N,N,5-trimethylbenzamide
CID 177300697

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide (CID 167232867) is 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide is CN(C)C(=O)c1cc(S)c(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide?
The InChIKey is APUYUKXTPSLUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-12(2)9(13)5-3-8(14)6(10)4-7(5)11/h3-4,14H,11H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide?
2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide has a molecular weight of 214.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N,N-dimethyl-5-sulfanylbenzamide is sourced from PubChem (CID 167232867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).