[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine

C15H16ClNO3S — CID 64640596

IUPAC[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15-7-2-11(9-17)8-12(15)10-21(18,19)14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3
InChIKeyDIECBWVFOWEPOK-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.78
Rot. Bonds5

About [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine

[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine (PubChem CID 64640596) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
PubChem CID64640596
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3S/c1-20-15-7-2-11(9-17)8-12(15)10-21(18,19)14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3
InChIKeyDIECBWVFOWEPOK-UHFFFAOYSA-N
XLogP2.78
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
CID 64646888
[3-(benzylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64646753
5-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]aniline
CID 81175336
3-[(4-bromophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43444077
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine (CID 64640596) is [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine?
The InChIKey is DIECBWVFOWEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-15-7-2-11(9-17)8-12(15)10-21(18,19)14-5-3-13(16)4-6-14/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine?
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine has a molecular weight of 325.82 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 64640596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).