N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C18H22FN3O2S — CID 133350405

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(C(C)Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F
InChIInChI=1S/C18H22FN3O2S/c1-13-5-6-15(11-17(13)19)14(2)21-18-8-7-16(12-20-18)25(23,24)22-9-3-4-10-22/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyKCBGJMROEBLFMB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 133350405) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID133350405
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCc1ccc(C(C)Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F
InChIInChI=1S/C18H22FN3O2S/c1-13-5-6-15(11-17(13)19)14(2)21-18-8-7-16(12-20-18)25(23,24)22-9-3-4-10-22/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,20,21)
InChIKeyKCBGJMROEBLFMB-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133350387
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490
5-piperidin-1-ylsulfonyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyridin-2-amine
CID 55827922
2-[2-methoxy-4-[1-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethyl]phenoxy]ethanol
CID 55829206
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133477635
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268142
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 133350405) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is Cc1ccc(C(C)Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is KCBGJMROEBLFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-13-5-6-15(11-17(13)19)14(2)21-18-8-7-16(12-20-18)25(23,24)22-9-3-4-10-22/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 363.46 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 N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 133350405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).