N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide

C14H11ClFNOS — CID 107019764

IUPACN-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S)ccc2F)cc1Cl
InChIInChI=1S/C14H11ClFNOS/c1-8-2-3-9(6-12(8)15)17-14(18)11-7-10(19)4-5-13(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyGXIXZYKIBMRPBV-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.33
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide

N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107019764) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107019764
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC NameN-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S)ccc2F)cc1Cl
InChIInChI=1S/C14H11ClFNOS/c1-8-2-3-9(6-12(8)15)17-14(18)11-7-10(19)4-5-13(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyGXIXZYKIBMRPBV-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide (CID 107019764) is N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide is Cc1ccc(NC(=O)c2cc(S)ccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is GXIXZYKIBMRPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c1-8-2-3-9(6-12(8)15)17-14(18)11-7-10(19)4-5-13(11)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide?
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 295.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107019764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).