4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride

C6H13ClFNO2S — CID 170910739

IUPAC4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride
SMILESCl.NC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)6-3-1-5(8)2-4-6;/h5-6H,1-4,8H2;1H
InChIKeyYAPSNRXOCJIUIS-UHFFFAOYSA-N
MW217.69 g/mol
LogP0.98
Rot. Bonds1

About 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride

4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride (PubChem CID 170910739) has the molecular formula C6H13ClFNO2S and a molecular weight of 217.69 g/mol. Its IUPAC name is 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride
PubChem CID170910739
Molecular FormulaC6H13ClFNO2S
Molecular Weight217.69 g/mol
Exact Mass217.03
IUPAC Name4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride
SMILESCl.NC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S.ClH/c7-11(9,10)6-3-1-5(8)2-4-6;/h5-6H,1-4,8H2;1H
InChIKeyYAPSNRXOCJIUIS-UHFFFAOYSA-N
XLogP0.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.69
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride?
The IUPAC name of 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride (CID 170910739) is 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride.
What is the SMILES notation for 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride?
The canonical SMILES for 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride is Cl.NC1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride?
The InChIKey is YAPSNRXOCJIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S.ClH/c7-11(9,10)6-3-1-5(8)2-4-6;/h5-6H,1-4,8H2;1H.
What are the key properties of 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride?
4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride has a molecular weight of 217.69 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-sulfonyl fluoride;hydrochloride is sourced from PubChem (CID 170910739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).