N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide

C18H16FNO2S — CID 4794072

IUPACN-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16FNO2S/c1-20(13-14-6-9-17(19)10-7-14)23(21,22)18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,13H2,1H3
InChIKeyYEYGZXRGZWYRQA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 4794072) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID4794072
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16FNO2S/c1-20(13-14-6-9-17(19)10-7-14)23(21,22)18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,13H2,1H3
InChIKeyYEYGZXRGZWYRQA-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 134028890
(2R)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 125095470
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 133249123
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N-benzyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 24609811
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 4794072) is N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is YEYGZXRGZWYRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-20(13-14-6-9-17(19)10-7-14)23(21,22)18-11-8-15-4-2-3-5-16(15)12-18/h2-12H,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 329.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 4794072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).