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

C18H22ClN3O3S — CID 112506418

IUPAC3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-14-4-5-16(11-17(14)19)26(23,24)21-13-18(15-3-2-6-20-12-15)22-7-9-25-10-8-22/h2-6,11-12,18,21H,7-10,13H2,1H3
InChIKeyOWTPIJDAKCWSOA-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.40
Rot. Bonds6

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

3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 112506418) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID112506418
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-14-4-5-16(11-17(14)19)26(23,24)21-13-18(15-3-2-6-20-12-15)22-7-9-25-10-8-22/h2-6,11-12,18,21H,7-10,13H2,1H3
InChIKeyOWTPIJDAKCWSOA-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.40
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
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
1-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506424
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 43956567
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide (CID 112506418) is 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is OWTPIJDAKCWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-14-4-5-16(11-17(14)19)26(23,24)21-13-18(15-3-2-6-20-12-15)22-7-9-25-10-8-22/h2-6,11-12,18,21H,7-10,13H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide?
3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 112506418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).