5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide

C14H20F2N2O2S — CID 65021039

IUPAC5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-18(11-6-4-2-3-5-7-11)21(19,20)13-9-10(17)8-12(15)14(13)16/h8-9,11H,2-7,17H2,1H3
InChIKeyUSFCTQLOKIBKFA-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.89
Rot. Bonds3

About 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide

5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide (PubChem CID 65021039) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
PubChem CID65021039
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-18(11-6-4-2-3-5-7-11)21(19,20)13-9-10(17)8-12(15)14(13)16/h8-9,11H,2-7,17H2,1H3
InChIKeyUSFCTQLOKIBKFA-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
N-cyclopentyl-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 105119398
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide (CID 65021039) is 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide is CN(C1CCCCCC1)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide?
The InChIKey is USFCTQLOKIBKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-18(11-6-4-2-3-5-7-11)21(19,20)13-9-10(17)8-12(15)14(13)16/h8-9,11H,2-7,17H2,1H3.
What are the key properties of 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide?
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 65021039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).