3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine

C19H24FNO2S — CID 70090592

IUPAC3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
SMILESCC(CCN(C)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO2S/c1-16(24(22,23)19-10-8-18(20)9-11-19)12-14-21(2)15-13-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyQIWKHDSAHXGICP-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.55
Rot. Bonds8

About 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine

3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine (PubChem CID 70090592) has the molecular formula C19H24FNO2S and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
PubChem CID70090592
Molecular FormulaC19H24FNO2S
Molecular Weight349.47 g/mol
Exact Mass349.15
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
SMILESCC(CCN(C)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO2S/c1-16(24(22,23)19-10-8-18(20)9-11-19)12-14-21(2)15-13-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyQIWKHDSAHXGICP-UHFFFAOYSA-N
XLogP3.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-enedioic acid;3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090594
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
CID 11724725
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
N-(3-aminopropyl)-N-benzyl-3-(4-fluorophenyl)sulfonylbutanamide;hydrochloride
CID 120649371
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
3-[3-(4-fluorophenyl)sulfonylbutanoyl-methylamino]propanoic acid
CID 119362413
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
(2S)-5-(benzenesulfonyl)-1-(4-fluorophenoxy)hexan-2-ol
CID 59048736

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine (CID 70090592) is 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine is CC(CCN(C)CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine?
The InChIKey is QIWKHDSAHXGICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2S/c1-16(24(22,23)19-10-8-18(20)9-11-19)12-14-21(2)15-13-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine?
3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine has a molecular weight of 349.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine is sourced from PubChem (CID 70090592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).