[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride

C14H21ClFNO2S — CID 166176148

IUPAC[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(CS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S.ClH/c15-13-5-7-14(8-6-13)19(17,18)10-12-3-1-11(9-16)2-4-12;/h5-8,11-12H,1-4,9-10,16H2;1H
InChIKeyCRQBBSHMMCRRCR-UHFFFAOYSA-N
MW321.84 g/mol
LogP2.79
Rot. Bonds4

About [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride

[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride (PubChem CID 166176148) has the molecular formula C14H21ClFNO2S and a molecular weight of 321.84 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride
PubChem CID166176148
Molecular FormulaC14H21ClFNO2S
Molecular Weight321.84 g/mol
Exact Mass321.10
IUPAC Name[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(CS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO2S.ClH/c15-13-5-7-14(8-6-13)19(17,18)10-12-3-1-11(9-16)2-4-12;/h5-8,11-12H,1-4,9-10,16H2;1H
InChIKeyCRQBBSHMMCRRCR-UHFFFAOYSA-N
XLogP2.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115071066
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CID 124611502
4-(cyclopropylmethylsulfonyl)-N-methylaniline
CID 174884651
2-[4-(cyclopropylmethylsulfonyl)phenyl]ethanol
CID 138573182
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N,N-dimethylcyclohexan-1-amine
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CID 28753396
[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentyl]methanol
CID 58344321
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N-ethylcyclohexan-1-amine
CID 58344130
(3S)-3-(4-fluorophenyl)-1-[4-[(4-methoxyphenyl)sulfonylmethyl]cyclohexyl]butan-1-one
CID 58291969
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
(1R)-3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]cyclopentan-1-ol
CID 58344310
(2R,4R)-4-bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 86750318

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride (CID 166176148) is [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride is Cl.NCC1CCC(CS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride?
The InChIKey is CRQBBSHMMCRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S.ClH/c15-13-5-7-14(8-6-13)19(17,18)10-12-3-1-11(9-16)2-4-12;/h5-8,11-12H,1-4,9-10,16H2;1H.
What are the key properties of [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride?
[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride has a molecular weight of 321.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 166176148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).