N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

C15H21FN2O3S — CID 2196419

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-17(12-15(19)18-10-4-2-3-5-11-18)22(20,21)14-8-6-13(16)7-9-14/h6-9H,2-5,10-12H2,1H3
InChIKeyNRMIDLYWEZDOJG-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 2196419) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID2196419
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-17(12-15(19)18-10-4-2-3-5-11-18)22(20,21)14-8-6-13(16)7-9-14/h6-9H,2-5,10-12H2,1H3
InChIKeyNRMIDLYWEZDOJG-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 900413
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
CID 934541
N-[3-(azepan-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2977982
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-ethyl-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2985941
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
N-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2985919
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
N-cyclohexyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1072978
2-[Ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 1258981
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2188534
Cambridge id 6458207
CID 2284358

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide (CID 2196419) is N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is NRMIDLYWEZDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-17(12-15(19)18-10-4-2-3-5-11-18)22(20,21)14-8-6-13(16)7-9-14/h6-9H,2-5,10-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 2196419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).