N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide

C15H14ClNO6S2 — CID 71381199

IUPACN-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2O)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H14ClNO6S2/c1-24(20,21)10-4-5-12(14(8-10)25(2,22)23)17-15(19)11-7-9(16)3-6-13(11)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyBSKQAAOGJIFFII-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.10
Rot. Bonds4

About N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide

N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 71381199) has the molecular formula C15H14ClNO6S2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID71381199
Molecular FormulaC15H14ClNO6S2
Molecular Weight403.87 g/mol
Exact Mass403.00
IUPAC NameN-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2O)c(S(C)(=O)=O)c1
InChIInChI=1S/C15H14ClNO6S2/c1-24(20,21)10-4-5-12(14(8-10)25(2,22)23)17-15(19)11-7-9(16)3-6-13(11)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyBSKQAAOGJIFFII-UHFFFAOYSA-N
XLogP2.10
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylsulfonylphenyl)-2-hydroxy-5-methylbenzamide
CID 145271067
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
N-(5-chloro-2-fluorophenyl)-2-methylsulfonylbenzamide
CID 18082595
5-chloro-N-[2-chloro-4-(dimethylamino)phenyl]-2-hydroxybenzamide
CID 162658546
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
4-chloro-2-methylsulfonylphenol
CID 130032505
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide (CID 71381199) is N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide is CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2O)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is BSKQAAOGJIFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S2/c1-24(20,21)10-4-5-12(14(8-10)25(2,22)23)17-15(19)11-7-9(16)3-6-13(11)18/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide?
N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 403.87 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(methylsulfonyl)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 71381199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).