N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C17H21N3O3S — CID 5268213

IUPACN-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-23-15-7-5-14(6-8-15)19-17-10-9-16(13-18-17)24(21,22)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3,(H,18,19)
InChIKeyPPEHPVTUUHDAQY-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.01
Rot. Bonds6

About N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268213) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268213
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCCOc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-23-15-7-5-14(6-8-15)19-17-10-9-16(13-18-17)24(21,22)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3,(H,18,19)
InChIKeyPPEHPVTUUHDAQY-UHFFFAOYSA-N
XLogP3.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 5267894
6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
CID 25465799
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267681
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
1-(4-ethoxyphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 38969543
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 27653130

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268213) is N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is CCOc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is PPEHPVTUUHDAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-23-15-7-5-14(6-8-15)19-17-10-9-16(13-18-17)24(21,22)20-11-3-4-12-20/h5-10,13H,2-4,11-12H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).