3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine

C15H16ClFN2O2S — CID 146145678

IUPAC3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine
SMILESCC(CNc1c(F)cncc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16ClFN2O2S/c1-10(7-19-15-13(16)8-18-9-14(15)17)11-3-5-12(6-4-11)22(2,20)21/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyVTWKQJCSFBHGDJ-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.49
Rot. Bonds5

About 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine

3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine (PubChem CID 146145678) has the molecular formula C15H16ClFN2O2S and a molecular weight of 342.82 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine
PubChem CID146145678
Molecular FormulaC15H16ClFN2O2S
Molecular Weight342.82 g/mol
Exact Mass342.06
IUPAC Name3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine
SMILESCC(CNc1c(F)cncc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16ClFN2O2S/c1-10(7-19-15-13(16)8-18-9-14(15)17)11-3-5-12(6-4-11)22(2,20)21/h3-6,8-10H,7H2,1-2H3,(H,18,19)
InChIKeyVTWKQJCSFBHGDJ-UHFFFAOYSA-N
XLogP3.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004
3-methyl-5-[2-(4-methylsulfonylphenyl)propylamino]benzoic acid
CID 166258589
N-(6-chloropyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)propanamide
CID 57378617
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
2-(2-fluorophenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247307
2,6-dimethyl-N-[(2R)-2-(4-methylsulfonylphenyl)propyl]pyridine-4-carboxamide
CID 164630131
2-chloro-1-fluoro-4-[(2S)-1-[(3R)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]benzene
CID 159651416
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
(5-fluoro-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 115804928
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine?
The IUPAC name of 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine (CID 146145678) is 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine is CC(CNc1c(F)cncc1Cl)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine?
The InChIKey is VTWKQJCSFBHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2S/c1-10(7-19-15-13(16)8-18-9-14(15)17)11-3-5-12(6-4-11)22(2,20)21/h3-6,8-10H,7H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine?
3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine has a molecular weight of 342.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[2-(4-methylsulfonylphenyl)propyl]pyridin-4-amine is sourced from PubChem (CID 146145678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).