N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide

C15H14ClNO5S2 — CID 2521659

IUPACN-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO5S2/c1-23(19,20)11-5-3-10(4-6-11)15(18)17-14-9-12(24(2,21)22)7-8-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyWHDUNKVQRZCJOE-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.40
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide

N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide (PubChem CID 2521659) has the molecular formula C15H14ClNO5S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide
PubChem CID2521659
Molecular FormulaC15H14ClNO5S2
Molecular Weight387.87 g/mol
Exact Mass387.00
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C15H14ClNO5S2/c1-23(19,20)11-5-3-10(4-6-11)15(18)17-14-9-12(24(2,21)22)7-8-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyWHDUNKVQRZCJOE-UHFFFAOYSA-N
XLogP2.40
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide (CID 2521659) is N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is WHDUNKVQRZCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S2/c1-23(19,20)11-5-3-10(4-6-11)15(18)17-14-9-12(24(2,21)22)7-8-13(14)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide?
N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 2521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).