2-chloro-5-methylsulfanyl-N-propylbenzamide

C11H14ClNOS — CID 2961456

IUPAC2-chloro-5-methylsulfanyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C11H14ClNOS/c1-3-6-13-11(14)9-7-8(15-2)4-5-10(9)12/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeySWDVQACCNZSHJC-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.20
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-propylbenzamide

2-chloro-5-methylsulfanyl-N-propylbenzamide (PubChem CID 2961456) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-propylbenzamide
PubChem CID2961456
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-chloro-5-methylsulfanyl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C11H14ClNOS/c1-3-6-13-11(14)9-7-8(15-2)4-5-10(9)12/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeySWDVQACCNZSHJC-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-propylbenzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-propylbenzamide (CID 2961456) is 2-chloro-5-methylsulfanyl-N-propylbenzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-propylbenzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-propylbenzamide is CCCNC(=O)c1cc(SC)ccc1Cl.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-propylbenzamide?
The InChIKey is SWDVQACCNZSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-3-6-13-11(14)9-7-8(15-2)4-5-10(9)12/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-5-methylsulfanyl-N-propylbenzamide?
2-chloro-5-methylsulfanyl-N-propylbenzamide has a molecular weight of 243.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-propylbenzamide is sourced from PubChem (CID 2961456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).