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

C15H14Cl2FNO3S — CID 39794842

IUPAC3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-4-15(22-2)14(18)5-10)23(20,21)13-7-11(16)6-12(17)8-13/h3-8H,9H2,1-2H3
InChIKeyMURJGVNTYXAZAG-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.96
Rot. Bonds5

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

3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 39794842) has the molecular formula C15H14Cl2FNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID39794842
Molecular FormulaC15H14Cl2FNO3S
Molecular Weight378.25 g/mol
Exact Mass377.01
IUPAC Name3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-4-15(22-2)14(18)5-10)23(20,21)13-7-11(16)6-12(17)8-13/h3-8H,9H2,1-2H3
InChIKeyMURJGVNTYXAZAG-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

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18207405
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 39794842) is 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1ccc(CN(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is MURJGVNTYXAZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO3S/c1-19(9-10-3-4-15(22-2)14(18)5-10)23(20,21)13-7-11(16)6-12(17)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
3,5-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 3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 39794842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).