4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide

C15H14ClNO2S — CID 91233787

IUPAC4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(Cl)cc1SCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-13-7-6-12(16)8-14(13)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNKLJGOVOGQDMJI-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.74
Rot. Bonds5

About 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide

4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide (PubChem CID 91233787) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide
PubChem CID91233787
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide
SMILESCOc1ccc(Cl)cc1SCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14ClNO2S/c1-19-13-7-6-12(16)8-14(13)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNKLJGOVOGQDMJI-UHFFFAOYSA-N
XLogP3.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
CID 79528043
methyl 4-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoate
CID 28942620
methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]benzoate
CID 114790821
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
CID 100763591
(5-chloro-2-methoxyphenyl)sulfanylformic acid
CID 117033458
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
4-chloro-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]aniline
CID 79525147
3-[(4-amino-2-methoxyphenyl)sulfanylmethyl]-4-fluorobenzamide
CID 79836686
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide (CID 91233787) is 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide is COc1ccc(Cl)cc1SCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide?
The InChIKey is NKLJGOVOGQDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-19-13-7-6-12(16)8-14(13)20-9-10-2-4-11(5-3-10)15(17)18/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide?
4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide has a molecular weight of 307.80 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 91233787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).