1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide

C18H22ClN3O3S — CID 112506424

IUPAC1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O3S/c19-17-6-2-1-4-16(17)14-26(23,24)21-13-18(15-5-3-7-20-12-15)22-8-10-25-11-9-22/h1-7,12,18,21H,8-11,13-14H2
InChIKeyRNEMJBFSVWTOGW-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.23
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide (PubChem CID 112506424) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
PubChem CID112506424
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O3S/c19-17-6-2-1-4-16(17)14-26(23,24)21-13-18(15-5-3-7-20-12-15)22-8-10-25-11-9-22/h1-7,12,18,21H,8-11,13-14H2
InChIKeyRNEMJBFSVWTOGW-UHFFFAOYSA-N
XLogP2.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112506427
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506418
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
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-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996538

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide (CID 112506424) is 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
The InChIKey is RNEMJBFSVWTOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-17-6-2-1-4-16(17)14-26(23,24)21-13-18(15-5-3-7-20-12-15)22-8-10-25-11-9-22/h1-7,12,18,21H,8-11,13-14H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 112506424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).