2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

C15H14Cl2FNO3S — CID 4789845

IUPAC2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-6-14(22-2)13(18)7-10)23(20,21)15-8-11(16)4-5-12(15)17/h3-8H,9H2,1-2H3
InChIKeyHHHXCBZSYJQAAA-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.96
Rot. Bonds5

About 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 4789845) has the molecular formula C15H14Cl2FNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID4789845
Molecular FormulaC15H14Cl2FNO3S
Molecular Weight378.25 g/mol
Exact Mass377.01
IUPAC Name2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-6-14(22-2)13(18)7-10)23(20,21)15-8-11(16)4-5-12(15)17/h3-8H,9H2,1-2H3
InChIKeyHHHXCBZSYJQAAA-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
2,5-dichloro-N-(2-methoxy-5-methylphenyl)-N-methylbenzenesulfonamide
CID 100507646

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 4789845) is 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is HHHXCBZSYJQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-6-14(22-2)13(18)7-10)23(20,21)15-8-11(16)4-5-12(15)17/h3-8H,9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 378.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 4789845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).