4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

C21H33FN2O3S — CID 25023505

IUPAC4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCN1
InChIInChI=1S/C21H33FN2O3S/c22-18-13-15-20(16-14-18)28(26,27)24-19-10-7-5-3-1-2-4-6-8-12-21(25)23-17-9-11-19/h13-16,19,24H,1-12,17H2,(H,23,25)
InChIKeyYMCRTSYATREITB-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.28
Rot. Bonds3

About 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023505) has the molecular formula C21H33FN2O3S and a molecular weight of 412.57 g/mol. Its IUPAC name is 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023505
Molecular FormulaC21H33FN2O3S
Molecular Weight412.57 g/mol
Exact Mass412.22
IUPAC Name4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCN1
InChIInChI=1S/C21H33FN2O3S/c22-18-13-15-20(16-14-18)28(26,27)24-19-10-7-5-3-1-2-4-6-8-12-21(25)23-17-9-11-19/h13-16,19,24H,1-12,17H2,(H,23,25)
InChIKeyYMCRTSYATREITB-UHFFFAOYSA-N
XLogP4.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023323
N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide
CID 25023567
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 714404
N-cyclohexyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 3934633
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (CID 25023505) is 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCN1.
What is the InChIKey of 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is YMCRTSYATREITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O3S/c22-18-13-15-20(16-14-18)28(26,27)24-19-10-7-5-3-1-2-4-6-8-12-21(25)23-17-9-11-19/h13-16,19,24H,1-12,17H2,(H,23,25).
What are the key properties of 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 412.57 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).