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

C16H16F3NO4S — CID 39624112

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccc1OC(F)F
InChIInChI=1S/C16H16F3NO4S/c1-10-3-5-12(17)15(7-10)25(21,22)20-9-11-4-6-13(24-16(18)19)14(8-11)23-2/h3-8,16,20H,9H2,1-2H3
InChIKeyWWLRZIBOIPSELF-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.22
Rot. Bonds7

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 39624112) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
PubChem CID39624112
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccc1OC(F)F
InChIInChI=1S/C16H16F3NO4S/c1-10-3-5-12(17)15(7-10)25(21,22)20-9-11-4-6-13(24-16(18)19)14(8-11)23-2/h3-8,16,20H,9H2,1-2H3
InChIKeyWWLRZIBOIPSELF-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55564863
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide (CID 39624112) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is WWLRZIBOIPSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-10-3-5-12(17)15(7-10)25(21,22)20-9-11-4-6-13(24-16(18)19)14(8-11)23-2/h3-8,16,20H,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 39624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).