5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide

C17H27FN2O3S — CID 134543447

IUPAC5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide
SMILESNCCCCCS(=O)(=O)NCCc1cccc(OCC2CC2)c1F
InChIInChI=1S/C17H27FN2O3S/c18-17-15(5-4-6-16(17)23-13-14-7-8-14)9-11-20-24(21,22)12-3-1-2-10-19/h4-6,14,20H,1-3,7-13,19H2
InChIKeySWKNTZXNKYQNGS-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.21
Rot. Bonds12

About 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide

5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide (PubChem CID 134543447) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide
PubChem CID134543447
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide
SMILESNCCCCCS(=O)(=O)NCCc1cccc(OCC2CC2)c1F
InChIInChI=1S/C17H27FN2O3S/c18-17-15(5-4-6-16(17)23-13-14-7-8-14)9-11-20-24(21,22)12-3-1-2-10-19/h4-6,14,20H,1-3,7-13,19H2
InChIKeySWKNTZXNKYQNGS-UHFFFAOYSA-N
XLogP2.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide (CID 134543447) is 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide is NCCCCCS(=O)(=O)NCCc1cccc(OCC2CC2)c1F.
What is the InChIKey of 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is SWKNTZXNKYQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c18-17-15(5-4-6-16(17)23-13-14-7-8-14)9-11-20-24(21,22)12-3-1-2-10-19/h4-6,14,20H,1-3,7-13,19H2.
What are the key properties of 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide?
5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 358.48 g/mol, XLogP of 2.21, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 134543447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).