2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide

C16H23FN2O3S — CID 4300054

IUPAC2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F
InChIInChI=1S/C16H23FN2O3S/c1-2-3-4-9-18-16(20)14-12-13(7-8-15(14)17)23(21,22)19-10-5-6-11-19/h7-8,12H,2-6,9-11H2,1H3,(H,18,20)
InChIKeyISFGEQLARVKUEA-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.53
Rot. Bonds7

About 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide

2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4300054) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4300054
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F
InChIInChI=1S/C16H23FN2O3S/c1-2-3-4-9-18-16(20)14-12-13(7-8-15(14)17)23(21,22)19-10-5-6-11-19/h7-8,12H,2-6,9-11H2,1H3,(H,18,20)
InChIKeyISFGEQLARVKUEA-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
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CID 28590824
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 15993056
1-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-pentylthiourea
CID 9220483
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3337199
N-[3-(2-fluorophenoxy)propyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24517770
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55796989
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 4300054) is 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide is CCCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ISFGEQLARVKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-3-4-9-18-16(20)14-12-13(7-8-15(14)17)23(21,22)19-10-5-6-11-19/h7-8,12H,2-6,9-11H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).