6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide

C18H29FN2O3S — CID 134542398

IUPAC6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H29FN2O3S/c19-17-8-7-15(13-18(17)24-14-16-5-6-16)9-11-21-25(22,23)12-4-2-1-3-10-20/h7-8,13,16,21H,1-6,9-12,14,20H2
InChIKeyKLLRKYRHPPXBKF-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.60
Rot. Bonds13

About 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide

6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide (PubChem CID 134542398) has the molecular formula C18H29FN2O3S and a molecular weight of 372.51 g/mol. Its IUPAC name is 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
PubChem CID134542398
Molecular FormulaC18H29FN2O3S
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
SMILESNCCCCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C18H29FN2O3S/c19-17-8-7-15(13-18(17)24-14-16-5-6-16)9-11-21-25(22,23)12-4-2-1-3-10-20/h7-8,13,16,21H,1-6,9-12,14,20H2
InChIKeyKLLRKYRHPPXBKF-UHFFFAOYSA-N
XLogP2.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134546050
5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134543447
N-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]but-3-ene-1-sulfonamide
CID 134544143
5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
CID 135218464
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134541285
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-5,5-dimethylhexane-1-sulfonamide
CID 146352870
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-3-hydroxypropane-1-sulfonamide
CID 134541210
N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxypropyl]-5,5-dimethylhexane-1-sulfonamide
CID 146352817
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
CID 54944387
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The IUPAC name of 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide (CID 134542398) is 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The canonical SMILES for 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide is NCCCCCCS(=O)(=O)NCCc1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The InChIKey is KLLRKYRHPPXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3S/c19-17-8-7-15(13-18(17)24-14-16-5-6-16)9-11-21-25(22,23)12-4-2-1-3-10-20/h7-8,13,16,21H,1-6,9-12,14,20H2.
What are the key properties of 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide has a molecular weight of 372.51 g/mol, XLogP of 2.60, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide is sourced from PubChem (CID 134542398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).