N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide

C14H12ClNOS — CID 168651013

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide
SMILESO=CNc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNOS/c15-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)16-10-17/h1-8,10H,9H2,(H,16,17)
InChIKeyZSZRWMXVRXFMNE-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.20
Rot. Bonds5

About N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide (PubChem CID 168651013) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide
PubChem CID168651013
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide
SMILESO=CNc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNOS/c15-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)16-10-17/h1-8,10H,9H2,(H,16,17)
InChIKeyZSZRWMXVRXFMNE-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide (CID 168651013) is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide is O=CNc1ccccc1SCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide?
The InChIKey is ZSZRWMXVRXFMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c15-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)16-10-17/h1-8,10H,9H2,(H,16,17).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide has a molecular weight of 277.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide is sourced from PubChem (CID 168651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).