N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

C16H18FNO3S — CID 8797935

IUPACN-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12-4-9-15(21-3)16(10-12)22(19,20)18(2)11-13-5-7-14(17)8-6-13/h4-10H,11H2,1-3H3
InChIKeyNWNCVXQUFRJCMY-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (PubChem CID 8797935) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
PubChem CID8797935
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12-4-9-15(21-3)16(10-12)22(19,20)18(2)11-13-5-7-14(17)8-6-13/h4-10H,11H2,1-3H3
InChIKeyNWNCVXQUFRJCMY-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
N-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162650214
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2988323
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (CID 8797935) is N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is NWNCVXQUFRJCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-4-9-15(21-3)16(10-12)22(19,20)18(2)11-13-5-7-14(17)8-6-13/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8797935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).