(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride

C8H11Cl2NO2S — CID 66877784

IUPAC(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1cc(Cl)cc(CN)c1.Cl
InChIInChI=1S/C8H10ClNO2S.ClH/c1-13(11,12)8-3-6(5-10)2-7(9)4-8;/h2-4H,5,10H2,1H3;1H
InChIKeyLSNAFCARTGAZER-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.62
Rot. Bonds2

About (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride

(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride (PubChem CID 66877784) has the molecular formula C8H11Cl2NO2S and a molecular weight of 256.15 g/mol. Its IUPAC name is (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride
PubChem CID66877784
Molecular FormulaC8H11Cl2NO2S
Molecular Weight256.15 g/mol
Exact Mass254.99
IUPAC Name(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1cc(Cl)cc(CN)c1.Cl
InChIInChI=1S/C8H10ClNO2S.ClH/c1-13(11,12)8-3-6(5-10)2-7(9)4-8;/h2-4H,5,10H2,1H3;1H
InChIKeyLSNAFCARTGAZER-UHFFFAOYSA-N
XLogP1.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride?
The IUPAC name of (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride (CID 66877784) is (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride is CS(=O)(=O)c1cc(Cl)cc(CN)c1.Cl.
What is the InChIKey of (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride?
The InChIKey is LSNAFCARTGAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S.ClH/c1-13(11,12)8-3-6(5-10)2-7(9)4-8;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride?
(3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride has a molecular weight of 256.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylsulfonylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66877784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).