N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

C14H12Cl2N2O2S — CID 2451367

IUPACN-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1c(Cl)cncc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-20-12-5-8(21-2)3-4-9(12)14(19)18-13-10(15)6-17-7-11(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyKFSAZXZSMJZAOP-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.37
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide

N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 2451367) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
PubChem CID2451367
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1c(Cl)cncc1Cl
InChIInChI=1S/C14H12Cl2N2O2S/c1-20-12-5-8(21-2)3-4-9(12)14(19)18-13-10(15)6-17-7-11(13)16/h3-7H,1-2H3,(H,17,18,19)
InChIKeyKFSAZXZSMJZAOP-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide (CID 2451367) is N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1c(Cl)cncc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is KFSAZXZSMJZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c1-20-12-5-8(21-2)3-4-9(12)14(19)18-13-10(15)6-17-7-11(13)16/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide?
N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 343.24 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 2451367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).