1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide

C14H23FN2O2S — CID 106072908

IUPAC1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C14H23FN2O2S/c1-5-16-8-12(4)20(18,19)17-9-13-6-10(2)14(15)11(3)7-13/h6-7,12,16-17H,5,8-9H2,1-4H3
InChIKeyZVPDUOIUWMLDDQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.86
Rot. Bonds7

About 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide

1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide (PubChem CID 106072908) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
PubChem CID106072908
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC Name1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C14H23FN2O2S/c1-5-16-8-12(4)20(18,19)17-9-13-6-10(2)14(15)11(3)7-13/h6-7,12,16-17H,5,8-9H2,1-4H3
InChIKeyZVPDUOIUWMLDDQ-UHFFFAOYSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 106023482
N-[(3-bromophenyl)methyl]-1-(ethylamino)propane-2-sulfonamide
CID 114137608
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265
1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
1-(ethylamino)-N-[2-(3-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 106087679
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 82850908
N-[(2-methoxy-4-pyridinyl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106062082
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide (CID 106072908) is 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCc1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide?
The InChIKey is ZVPDUOIUWMLDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-5-16-8-12(4)20(18,19)17-9-13-6-10(2)14(15)11(3)7-13/h6-7,12,16-17H,5,8-9H2,1-4H3.
What are the key properties of 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide?
1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 106072908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).