[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

C13H13ClN2O2S — CID 64697151

IUPAC[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H13ClN2O2S/c14-11-1-3-13(4-2-11)19(17,18)9-10-5-6-16-12(7-10)8-15/h1-7H,8-9,15H2
InChIKeyIUDRZSIALRNOKP-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.17
Rot. Bonds4

About [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine

[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 64697151) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID64697151
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1cc(CS(=O)(=O)c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C13H13ClN2O2S/c14-11-1-3-13(4-2-11)19(17,18)9-10-5-6-16-12(7-10)8-15/h1-7H,8-9,15H2
InChIKeyIUDRZSIALRNOKP-UHFFFAOYSA-N
XLogP2.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
CID 167386346
[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697399
(4-chloro-2-pyridinyl)methanamine
CID 22727148
[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698793
[2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorophenyl]methanamine
CID 64763606
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
CID 64697361
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
CID 2819006
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
[2-fluoro-5-[(4-fluorophenyl)sulfonylmethyl]phenyl]methanamine
CID 107881466
4-[(3-chlorophenyl)sulfonylmethyl]pyridine-2-carbonitrile
CID 64690823

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine (CID 64697151) is [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is NCc1cc(CS(=O)(=O)c2ccc(Cl)cc2)ccn1.
What is the InChIKey of [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is IUDRZSIALRNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-11-1-3-13(4-2-11)19(17,18)9-10-5-6-16-12(7-10)8-15/h1-7H,8-9,15H2.
What are the key properties of [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine has a molecular weight of 296.78 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64697151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).