4-chloro-3-(thian-4-ylamino)benzamide

C12H15ClN2OS — CID 43679588

IUPAC4-chloro-3-(thian-4-ylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NC2CCSCC2)c1
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-8(12(14)16)7-11(10)15-9-3-5-17-6-4-9/h1-2,7,9,15H,3-6H2,(H2,14,16)
InChIKeyXFLVIOCLXOLIOB-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-3-(thian-4-ylamino)benzamide

4-chloro-3-(thian-4-ylamino)benzamide (PubChem CID 43679588) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-3-(thian-4-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(thian-4-ylamino)benzamide
PubChem CID43679588
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name4-chloro-3-(thian-4-ylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NC2CCSCC2)c1
InChIInChI=1S/C12H15ClN2OS/c13-10-2-1-8(12(14)16)7-11(10)15-9-3-5-17-6-4-9/h1-2,7,9,15H,3-6H2,(H2,14,16)
InChIKeyXFLVIOCLXOLIOB-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
4-chloro-3-(oxolan-3-ylamino)benzamide
CID 63332059
4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975050
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
N-(5-carbamothioyl-2-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83137569
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
4-(azepan-4-ylamino)-3-chlorobenzamide
CID 23068137
4-chloro-3-(cyclohexylmethylamino)benzamide
CID 43679468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(thian-4-ylamino)benzamide?
The IUPAC name of 4-chloro-3-(thian-4-ylamino)benzamide (CID 43679588) is 4-chloro-3-(thian-4-ylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(thian-4-ylamino)benzamide?
The canonical SMILES for 4-chloro-3-(thian-4-ylamino)benzamide is NC(=O)c1ccc(Cl)c(NC2CCSCC2)c1.
What is the InChIKey of 4-chloro-3-(thian-4-ylamino)benzamide?
The InChIKey is XFLVIOCLXOLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-10-2-1-8(12(14)16)7-11(10)15-9-3-5-17-6-4-9/h1-2,7,9,15H,3-6H2,(H2,14,16).
What are the key properties of 4-chloro-3-(thian-4-ylamino)benzamide?
4-chloro-3-(thian-4-ylamino)benzamide has a molecular weight of 270.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(thian-4-ylamino)benzamide is sourced from PubChem (CID 43679588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).