4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide

C18H23N3O3S — CID 30888568

IUPAC4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O3S/c1-15-4-6-17(7-5-15)25(22,23)20-14-18(16-3-2-8-19-13-16)21-9-11-24-12-10-21/h2-8,13,18,20H,9-12,14H2,1H3/t18-/m1/s1
InChIKeySGOVAGLBWBGJMD-GOSISDBHSA-N
MW361.47 g/mol
LogP1.74
Rot. Bonds6

About 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide

4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 30888568) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID30888568
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O3S/c1-15-4-6-17(7-5-15)25(22,23)20-14-18(16-3-2-8-19-13-16)21-9-11-24-12-10-21/h2-8,13,18,20H,9-12,14H2,1H3/t18-/m1/s1
InChIKeySGOVAGLBWBGJMD-GOSISDBHSA-N
XLogP1.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
3,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
CID 112506429
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
4-N-cyclopropyl-1-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide
CID 55873638
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
4-fluoro-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30328363
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide (CID 30888568) is 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is SGOVAGLBWBGJMD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-15-4-6-17(7-5-15)25(22,23)20-14-18(16-3-2-8-19-13-16)21-9-11-24-12-10-21/h2-8,13,18,20H,9-12,14H2,1H3/t18-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide?
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30888568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).