(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride

C11H16ClFN2O3S — CID 66878651

IUPAC(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H15FN2O3S.ClH/c12-10-1-2-11(9(7-10)8-13)18(15,16)14-3-5-17-6-4-14;/h1-2,7H,3-6,8,13H2;1H
InChIKeyISLSRDNMJDZTSW-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.73
Rot. Bonds3

About (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride

(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride (PubChem CID 66878651) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
PubChem CID66878651
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H15FN2O3S.ClH/c12-10-1-2-11(9(7-10)8-13)18(15,16)14-3-5-17-6-4-14;/h1-2,7H,3-6,8,13H2;1H
InChIKeyISLSRDNMJDZTSW-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
CID 66877132
N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 102920207
[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920270
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798
4-[2-(2-methylpropyl)-4-propan-2-ylphenyl]sulfonylmorpholine
CID 163628982
1-(3-fluoro-4-morpholin-4-ylsulfonylphenyl)-N-methylmethanamine
CID 79187601

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride (CID 66878651) is (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride is Cl.NCc1cc(F)ccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride?
The InChIKey is ISLSRDNMJDZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S.ClH/c12-10-1-2-11(9(7-10)8-13)18(15,16)14-3-5-17-6-4-14;/h1-2,7H,3-6,8,13H2;1H.
What are the key properties of (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride?
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66878651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).