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

C14H14ClNO5S2 — CID 2477654

IUPACN-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C14H14ClNO5S2/c1-21-10-3-5-11(6-4-10)23(19,20)16-14-9-12(22(2,17)18)7-8-13(14)15/h3-9,16H,1-2H3
InChIKeyNYSWCFIOYNVDDJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.55
Rot. Bonds5

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

N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 2477654) has the molecular formula C14H14ClNO5S2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
PubChem CID2477654
Molecular FormulaC14H14ClNO5S2
Molecular Weight375.86 g/mol
Exact Mass375.00
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1
InChIInChI=1S/C14H14ClNO5S2/c1-21-10-3-5-11(6-4-10)23(19,20)16-14-9-12(22(2,17)18)7-8-13(14)15/h3-9,16H,1-2H3
InChIKeyNYSWCFIOYNVDDJ-UHFFFAOYSA-N
XLogP2.55
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
3-chloro-N-(2-chloro-5-methoxyphenyl)benzenesulfonamide
CID 47419004
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 103710408
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide (CID 2477654) is N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is NYSWCFIOYNVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5S2/c1-21-10-3-5-11(6-4-10)23(19,20)16-14-9-12(22(2,17)18)7-8-13(14)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide?
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 375.86 g/mol, XLogP of 2.55, 5 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-methoxybenzenesulfonamide is sourced from PubChem (CID 2477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).