4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline

C17H21N3O3S — CID 139019834

IUPAC4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccc(NCCc2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C17H21N3O3S/c21-24(22,20-11-13-23-14-12-20)17-3-1-16(2-4-17)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2
InChIKeySFFJXJWEUPLCBA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.76
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline

4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 139019834) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID139019834
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccc(NCCc2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C17H21N3O3S/c21-24(22,20-11-13-23-14-12-20)17-3-1-16(2-4-17)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2
InChIKeySFFJXJWEUPLCBA-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-(2-pyridin-4-ylethyl)aniline
CID 63180016
2,2-dimethyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]propanamide
CID 108736609
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
6-(4-fluorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyridazin-3-amine
CID 108775128
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]quinoxalin-2-amine
CID 108775153
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
N-ethyl-4-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904045
N'-(4-chlorophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127021
N'-(4-bromophenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30127095
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline (CID 139019834) is 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline is O=S(=O)(c1ccc(NCCc2ccncc2)cc1)N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is SFFJXJWEUPLCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,20-11-13-23-14-12-20)17-3-1-16(2-4-17)19-10-7-15-5-8-18-9-6-15/h1-6,8-9,19H,7,10-14H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline?
4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 347.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 139019834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).