2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide

C15H15Cl2NO3S — CID 100507646

IUPAC2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-10-4-7-14(21-3)13(8-10)18(2)22(19,20)15-9-11(16)5-6-12(15)17/h4-9H,1-3H3
InChIKeyPHHFONFAACVRBP-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.14
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide

2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide (PubChem CID 100507646) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
PubChem CID100507646
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-10-4-7-14(21-3)13(8-10)18(2)22(19,20)15-9-11(16)5-6-12(15)17/h4-9H,1-3H3
InChIKeyPHHFONFAACVRBP-UHFFFAOYSA-N
XLogP4.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]-4-methylbenzoate
CID 100508321
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372185
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)-N-methylbenzenesulfonamide
CID 146545889
2-(N-(2,5-dichlorophenyl)sulfonyl-2,5-dimethoxyanilino)acetyl chloride
CID 50894812
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide (CID 100507646) is 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide is COc1ccc(C)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is PHHFONFAACVRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-10-4-7-14(21-3)13(8-10)18(2)22(19,20)15-9-11(16)5-6-12(15)17/h4-9H,1-3H3.
What are the key properties of 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide?
2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 100507646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).