1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride

C7H9ClFNO3S — CID 170911916

IUPAC1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
SMILESCl.NCc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H8FNO3S.ClH/c8-13(10,11)12-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKeyNISOYVKQTNOBRR-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.16
Rot. Bonds3

About 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride

1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride (PubChem CID 170911916) has the molecular formula C7H9ClFNO3S and a molecular weight of 241.67 g/mol. Its IUPAC name is 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
PubChem CID170911916
Molecular FormulaC7H9ClFNO3S
Molecular Weight241.67 g/mol
Exact Mass241.00
IUPAC Name1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
SMILESCl.NCc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C7H8FNO3S.ClH/c8-13(10,11)12-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKeyNISOYVKQTNOBRR-UHFFFAOYSA-N
XLogP1.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
2-amino-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 130202342
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
[4-(aminomethyl)phenyl] 4-nitrobenzenesulfonate
CID 54228698
4-fluorosulfonyloxypyridine
CID 86171970
tris[4-(aminomethyl)phenyl] borate;hydrochloride
CID 156901124
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[4-(3-ethylsulfonylpropoxy)phenyl]methanamine
CID 64697792
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride?
The IUPAC name of 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride (CID 170911916) is 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride is Cl.NCc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride?
The InChIKey is NISOYVKQTNOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S.ClH/c8-13(10,11)12-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H.
What are the key properties of 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride?
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride has a molecular weight of 241.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride is sourced from PubChem (CID 170911916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).