N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide

C12H18ClN3O3S — CID 121427558

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)CCN2CCOCC2)c1
InChIInChI=1S/C12H18ClN3O3S/c1-10-8-11(12(13)14-9-10)15-20(17,18)7-4-16-2-5-19-6-3-16/h8-9,15H,2-7H2,1H3
InChIKeyCVYLMBPGWVDJED-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.12
Rot. Bonds5

About N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide

N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide (PubChem CID 121427558) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
PubChem CID121427558
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)CCN2CCOCC2)c1
InChIInChI=1S/C12H18ClN3O3S/c1-10-8-11(12(13)14-9-10)15-20(17,18)7-4-16-2-5-19-6-3-16/h8-9,15H,2-7H2,1H3
InChIKeyCVYLMBPGWVDJED-UHFFFAOYSA-N
XLogP1.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-[4-[(E)-prop-1-enyl]phenyl]ethanesulfonamide
CID 59156580
6-methyl-3-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79300752
N-[5-[8-(3-chloro-4-fluoroanilino)-7-cyano-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137371034
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
CID 3830487
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305451
N-(2-morpholin-4-ylpyrimidin-5-yl)propane-1-sulfonamide
CID 71790207
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893
N-[2-amino-5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-3-pyridinyl]-2-morpholin-4-ylethanesulfonamide
CID 137370642
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 121427590

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide (CID 121427558) is N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide is Cc1cnc(Cl)c(NS(=O)(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide?
The InChIKey is CVYLMBPGWVDJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-10-8-11(12(13)14-9-10)15-20(17,18)7-4-16-2-5-19-6-3-16/h8-9,15H,2-7H2,1H3.
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide?
N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-2-morpholin-4-ylethanesulfonamide is sourced from PubChem (CID 121427558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).