N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide

C14H19F2NO2S — CID 55476609

IUPACN-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-17(13-6-4-2-3-5-7-13)20(18,19)14-9-11(15)8-12(16)10-14/h8-10,13H,2-7H2,1H3
InChIKeyTVLXFUVQRMABGZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds3

About N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide

N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide (PubChem CID 55476609) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
PubChem CID55476609
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-17(13-6-4-2-3-5-7-13)20(18,19)14-9-11(15)8-12(16)10-14/h8-10,13H,2-7H2,1H3
InChIKeyTVLXFUVQRMABGZ-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-chloro-3-(chloromethyl)-N-cyclopentyl-5-fluoro-N-methylbenzenesulfonamide
CID 81458331
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 63321663
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
CID 65021039
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide (CID 55476609) is N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide is CN(C1CCCCCC1)S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide?
The InChIKey is TVLXFUVQRMABGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-17(13-6-4-2-3-5-7-13)20(18,19)14-9-11(15)8-12(16)10-14/h8-10,13H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide?
N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide has a molecular weight of 303.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55476609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).