2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide

C14H21FN2O2S — CID 106071833

IUPAC2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCNC2CC2)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-10-3-4-12(9-14(10)15)11(2)17-20(18,19)8-7-16-13-5-6-13/h3-4,9,11,13,16-17H,5-8H2,1-2H3
InChIKeyKYFNWVLDVNPADX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.87
Rot. Bonds7

About 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide

2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 106071833) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide
PubChem CID106071833
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCNC2CC2)cc1F
InChIInChI=1S/C14H21FN2O2S/c1-10-3-4-12(9-14(10)15)11(2)17-20(18,19)8-7-16-13-5-6-13/h3-4,9,11,13,16-17H,5-8H2,1-2H3
InChIKeyKYFNWVLDVNPADX-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 55100399
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
N-[3-(cyclopropylamino)propyl]-3-fluoro-4-methylbenzenesulfonamide
CID 43598658
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
2-(cyclopropylamino)-N-(2,6-difluorophenyl)ethanesulfonamide
CID 114134282
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide (CID 106071833) is 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide is Cc1ccc(C(C)NS(=O)(=O)CCNC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is KYFNWVLDVNPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-3-4-12(9-14(10)15)11(2)17-20(18,19)8-7-16-13-5-6-13/h3-4,9,11,13,16-17H,5-8H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106071833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).