N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide

C15H15F2NO3S — CID 110781066

IUPACN-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2NO3S/c1-10-7-12(21-2)4-6-15(10)22(19,20)18-9-11-3-5-13(16)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyBTBJDCTZHUWPLO-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.76
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 110781066) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID110781066
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C15H15F2NO3S/c1-10-7-12(21-2)4-6-15(10)22(19,20)18-9-11-3-5-13(16)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyBTBJDCTZHUWPLO-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642092
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide (CID 110781066) is N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is BTBJDCTZHUWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-10-7-12(21-2)4-6-15(10)22(19,20)18-9-11-3-5-13(16)14(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 110781066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).