N-[2-(3-chlorophenyl)sulfanylethyl]formamide

C9H10ClNOS — CID 91574653

IUPACN-[2-(3-chlorophenyl)sulfanylethyl]formamide
SMILESO=CNCCSc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-3-9(6-8)13-5-4-11-7-12/h1-3,6-7H,4-5H2,(H,11,12)
InChIKeyFBGIDWTUECAXPE-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(3-chlorophenyl)sulfanylethyl]formamide

N-[2-(3-chlorophenyl)sulfanylethyl]formamide (PubChem CID 91574653) has the molecular formula C9H10ClNOS and a molecular weight of 215.71 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)sulfanylethyl]formamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)sulfanylethyl]formamide
PubChem CID91574653
Molecular FormulaC9H10ClNOS
Molecular Weight215.71 g/mol
Exact Mass215.02
IUPAC NameN-[2-(3-chlorophenyl)sulfanylethyl]formamide
SMILESO=CNCCSc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNOS/c10-8-2-1-3-9(6-8)13-5-4-11-7-12/h1-3,6-7H,4-5H2,(H,11,12)
InChIKeyFBGIDWTUECAXPE-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)sulfanylethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)sulfanylethyl]-2-methylpropan-2-amine
CID 62647206
N-[2-(3-chlorophenyl)sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 62647735
N-[2-(3-chlorophenyl)sulfanylethyl]-4-fluoroaniline
CID 63517607
3-bromo-N-[2-(3-chlorophenyl)sulfanylethyl]aniline
CID 63517274
N-[2-(3-chlorophenyl)sulfanylethyl]-1-cyclopropylethanamine
CID 62646836
N-[2-(3-chlorophenyl)sulfanylethyl]oxan-4-amine
CID 63098142
N-[2-(3-bromophenyl)sulfanylethyl]-3-chloroaniline
CID 63516478
3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 76947617
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
6-(3-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)hexanamide
CID 129189699
4-(3-chlorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63035233
N-(3-aminophenyl)-6-(3-chlorophenyl)sulfanylhexanamide
CID 129189700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)sulfanylethyl]formamide?
The IUPAC name of N-[2-(3-chlorophenyl)sulfanylethyl]formamide (CID 91574653) is N-[2-(3-chlorophenyl)sulfanylethyl]formamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)sulfanylethyl]formamide?
The canonical SMILES for N-[2-(3-chlorophenyl)sulfanylethyl]formamide is O=CNCCSc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)sulfanylethyl]formamide?
The InChIKey is FBGIDWTUECAXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-8-2-1-3-9(6-8)13-5-4-11-7-12/h1-3,6-7H,4-5H2,(H,11,12).
What are the key properties of N-[2-(3-chlorophenyl)sulfanylethyl]formamide?
N-[2-(3-chlorophenyl)sulfanylethyl]formamide has a molecular weight of 215.71 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)sulfanylethyl]formamide is sourced from PubChem (CID 91574653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).