N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide

C17H21N3O3S — CID 6710499

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H21N3O3S/c21-24(22,16-6-2-1-3-7-16)19-14-17(15-5-4-8-18-13-15)20-9-11-23-12-10-20/h1-8,13,17,19H,9-12,14H2
InChIKeyAZQPFEWEYUIBOB-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.43
Rot. Bonds6

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 6710499) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID6710499
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H21N3O3S/c21-24(22,16-6-2-1-3-7-16)19-14-17(15-5-4-8-18-13-15)20-9-11-23-12-10-20/h1-8,13,17,19H,9-12,14H2
InChIKeyAZQPFEWEYUIBOB-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
1-[6-[Cyclohexylmethyl(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 76324595
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]methanesulfonamide
CID 5156859
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
4-(2,6-Dimethyl-piperidine-1-sulfonyl)-N-(2-pyridin-4-yl-ethyl)-benzenesulfonamide
CID 3226853
1-(4-Morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610246
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610365
4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 139391293
4-(cyclohexylamino)-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 139392929
Piperazine moiety, 3
CID 57339811

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (CID 6710499) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is AZQPFEWEYUIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,16-6-2-1-3-7-16)19-14-17(15-5-4-8-18-13-15)20-9-11-23-12-10-20/h1-8,13,17,19H,9-12,14H2.
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6710499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).