3-fluoro-N-methylazepane-1-sulfonamide

C7H15FN2O2S — CID 126994099

IUPAC3-fluoro-N-methylazepane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c1-9-13(11,12)10-5-3-2-4-7(8)6-10/h7,9H,2-6H2,1H3
InChIKeyMQIUAWMAQIMMDE-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.27
Rot. Bonds2

About 3-fluoro-N-methylazepane-1-sulfonamide

3-fluoro-N-methylazepane-1-sulfonamide (PubChem CID 126994099) has the molecular formula C7H15FN2O2S and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-fluoro-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methylazepane-1-sulfonamide
PubChem CID126994099
Molecular FormulaC7H15FN2O2S
Molecular Weight210.27 g/mol
Exact Mass210.08
IUPAC Name3-fluoro-N-methylazepane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCCC(F)C1
InChIInChI=1S/C7H15FN2O2S/c1-9-13(11,12)10-5-3-2-4-7(8)6-10/h7,9H,2-6H2,1H3
InChIKeyMQIUAWMAQIMMDE-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sah 41-178
CID 192792
N-(3-amino-2,2-difluoropropyl)azepane-1-sulfonamide
CID 113577788
N-(2,2,2-trifluoroethyl)azepane-1-sulfonamide
CID 114807161
N-methylazepane-1-sulfonamide
CID 28784575
N-Butylazepane-1-sulfonamide
CID 71367847
N-(3-aminopropyl)-N-methylazepane-1-sulfonamide
CID 28783233
N-(3-aminopropyl)-N-ethylazepane-1-sulfonamide
CID 43136915
N-(3-aminopropyl)-N-propylazepane-1-sulfonamide
CID 43136938
N-ethylazepane-1-sulfonamide
CID 43213421
N-propylazepane-1-sulfonamide
CID 43213426
N-(4-aminobutyl)azepane-1-sulfonamide
CID 60894333
N-(cyanomethyl)azepane-1-sulfonamide
CID 60895040

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methylazepane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-methylazepane-1-sulfonamide (CID 126994099) is 3-fluoro-N-methylazepane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-methylazepane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-methylazepane-1-sulfonamide is CNS(=O)(=O)N1CCCCC(F)C1.
What is the InChIKey of 3-fluoro-N-methylazepane-1-sulfonamide?
The InChIKey is MQIUAWMAQIMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2S/c1-9-13(11,12)10-5-3-2-4-7(8)6-10/h7,9H,2-6H2,1H3.
What are the key properties of 3-fluoro-N-methylazepane-1-sulfonamide?
3-fluoro-N-methylazepane-1-sulfonamide has a molecular weight of 210.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 126994099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).