4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide

C16H23FN2O3S — CID 42955661

IUPAC4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H23FN2O3S/c1-3-6-12(2)18-16(20)13-7-8-14(17)15(11-13)23(21,22)19-9-4-5-10-19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyNXNVBAKHZLAZHQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.53
Rot. Bonds6

About 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 42955661) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID42955661
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H23FN2O3S/c1-3-6-12(2)18-16(20)13-7-8-14(17)15(11-13)23(21,22)19-9-4-5-10-19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyNXNVBAKHZLAZHQ-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936
(2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 27262140
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347
methyl (2S)-2-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbutanoate
CID 55942900
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55896344
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55672746
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
4-fluoro-3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794746

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 42955661) is 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide is CCCC(C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NXNVBAKHZLAZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-3-6-12(2)18-16(20)13-7-8-14(17)15(11-13)23(21,22)19-9-4-5-10-19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 42955661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).