N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide

C15H13ClFNO3S — CID 154751012

IUPACN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESCS(=O)Cc1cc(NC(=O)c2ccc(F)cc2O)ccc1Cl
InChIInChI=1S/C15H13ClFNO3S/c1-22(21)8-9-6-11(3-5-13(9)16)18-15(20)12-4-2-10(17)7-14(12)19/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyIFQATVISENNASU-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.32
Rot. Bonds4

About N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide

N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 154751012) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide
PubChem CID154751012
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC NameN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESCS(=O)Cc1cc(NC(=O)c2ccc(F)cc2O)ccc1Cl
InChIInChI=1S/C15H13ClFNO3S/c1-22(21)8-9-6-11(3-5-13(9)16)18-15(20)12-4-2-10(17)7-14(12)19/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyIFQATVISENNASU-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86956500
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 86956514
1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096
4-fluoro-2-hydroxy-N-naphthalen-2-ylbenzamide
CID 107015197
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-[4-[[4-chloro-3-(methylsulfinylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86958668
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]cyclopropane-1-carboxamide
CID 100620094

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide (CID 154751012) is N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide is CS(=O)Cc1cc(NC(=O)c2ccc(F)cc2O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is IFQATVISENNASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c1-22(21)8-9-6-11(3-5-13(9)16)18-15(20)12-4-2-10(17)7-14(12)19/h2-7,19H,8H2,1H3,(H,18,20).
What are the key properties of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide?
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 341.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 154751012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).