N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide

C18H18FNO2S — CID 18190594

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H18FNO2S/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/h2-7,9-10,12H,8,11,13H2,1H3
InChIKeyBNNQOJIOQGVGBV-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.57
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 18190594) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID18190594
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C18H18FNO2S/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/h2-7,9-10,12H,8,11,13H2,1H3
InChIKeyBNNQOJIOQGVGBV-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide (CID 18190594) is N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is BNNQOJIOQGVGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/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/h2-7,9-10,12H,8,11,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 331.41 g/mol, XLogP of 3.57, 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-methyl-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18190594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).