2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide

C19H25N3O3S — CID 112506407

IUPAC2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-5-6-16(2)19(12-15)26(23,24)21-14-18(17-4-3-7-20-13-17)22-8-10-25-11-9-22/h3-7,12-13,18,21H,8-11,14H2,1-2H3
InChIKeyAOGRRMXUBWPPOF-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.05
Rot. Bonds6

About 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide

2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 112506407) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID112506407
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H25N3O3S/c1-15-5-6-16(2)19(12-15)26(23,24)21-14-18(17-4-3-7-20-13-17)22-8-10-25-11-9-22/h3-7,12-13,18,21H,8-11,14H2,1-2H3
InChIKeyAOGRRMXUBWPPOF-UHFFFAOYSA-N
XLogP2.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
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-ylpropyl)benzenesulfonamide
CID 43064565
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
6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
CID 51966441
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (CID 112506407) is 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is AOGRRMXUBWPPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-5-6-16(2)19(12-15)26(23,24)21-14-18(17-4-3-7-20-13-17)22-8-10-25-11-9-22/h3-7,12-13,18,21H,8-11,14H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 112506407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).