2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide

C13H8ClF2NOS — CID 107020863

IUPAC2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8ClF2NOS/c14-10-3-2-8(19)6-9(10)13(18)17-7-1-4-11(15)12(16)5-7/h1-6,19H,(H,17,18)
InChIKeyRWRTVHZKECPDSH-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.16
Rot. Bonds2

About 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide

2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide (PubChem CID 107020863) has the molecular formula C13H8ClF2NOS and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
PubChem CID107020863
Molecular FormulaC13H8ClF2NOS
Molecular Weight299.73 g/mol
Exact Mass299.00
IUPAC Name2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8ClF2NOS/c14-10-3-2-8(19)6-9(10)13(18)17-7-1-4-11(15)12(16)5-7/h1-6,19H,(H,17,18)
InChIKeyRWRTVHZKECPDSH-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.16
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

N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764
2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
CID 107370953
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
CID 107031496
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide (CID 107020863) is 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide?
The InChIKey is RWRTVHZKECPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NOS/c14-10-3-2-8(19)6-9(10)13(18)17-7-1-4-11(15)12(16)5-7/h1-6,19H,(H,17,18).
What are the key properties of 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide?
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide has a molecular weight of 299.73 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).