4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide

C21H25FN2O3S — CID 9051929

IUPAC4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c22-19-7-5-6-17(16-19)12-13-23-21(25)18-8-10-20(11-9-18)28(26,27)24-14-3-1-2-4-15-24/h5-11,16H,1-4,12-15H2,(H,23,25)
InChIKeyUZLAUIHHJNVLSL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.36
Rot. Bonds6

About 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide

4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 9051929) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID9051929
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c22-19-7-5-6-17(16-19)12-13-23-21(25)18-8-10-20(11-9-18)28(26,27)24-14-3-1-2-4-15-24/h5-11,16H,1-4,12-15H2,(H,23,25)
InChIKeyUZLAUIHHJNVLSL-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 55397769
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-chloro-6-fluorobenzamide
CID 108736474

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 9051929) is 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide is O=C(NCCc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is UZLAUIHHJNVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-19-7-5-6-17(16-19)12-13-23-21(25)18-8-10-20(11-9-18)28(26,27)24-14-3-1-2-4-15-24/h5-11,16H,1-4,12-15H2,(H,23,25).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 9051929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).