2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide

C15H13Cl2F2NO3S — CID 3731125

IUPAC2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO3S/c1-9-6-14(13(17)7-12(9)16)24(21,22)20-8-10-2-4-11(5-3-10)23-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyXWADNLWCZWRQOQ-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.38
Rot. Bonds6

About 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide (PubChem CID 3731125) has the molecular formula C15H13Cl2F2NO3S and a molecular weight of 396.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
PubChem CID3731125
Molecular FormulaC15H13Cl2F2NO3S
Molecular Weight396.24 g/mol
Exact Mass395.00
IUPAC Name2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO3S/c1-9-6-14(13(17)7-12(9)16)24(21,22)20-8-10-2-4-11(5-3-10)23-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyXWADNLWCZWRQOQ-UHFFFAOYSA-N
XLogP4.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 29350993
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 29350986
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
CID 43733617
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78808557

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide (CID 3731125) is 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(OC(F)F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide?
The InChIKey is XWADNLWCZWRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO3S/c1-9-6-14(13(17)7-12(9)16)24(21,22)20-8-10-2-4-11(5-3-10)23-15(18)19/h2-7,15,20H,8H2,1H3.
What are the key properties of 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide has a molecular weight of 396.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 3731125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).