4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide

C19H18FNO2S — CID 154857610

IUPAC4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2S/c1-21(24(22,23)18-11-9-17(20)10-12-18)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3
InChIKeyKDKDIYSGMOOURT-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.84
Rot. Bonds5

About 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide

4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 154857610) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID154857610
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO2S/c1-21(24(22,23)18-11-9-17(20)10-12-18)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3
InChIKeyKDKDIYSGMOOURT-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2442734
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
sodium 2-[(4-fluorophenyl)sulfonyl-methylamino]ethanesulfinate
CID 165450115
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide (CID 154857610) is 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide is CN(CCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is KDKDIYSGMOOURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-21(24(22,23)18-11-9-17(20)10-12-18)14-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide?
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 343.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 154857610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).