N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C18H23N3O5S2 — CID 55353222

IUPACN-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S2/c1-20(11-9-16-4-2-3-10-19-16)27(22,23)17-5-7-18(8-6-17)28(24,25)21-12-14-26-15-13-21/h2-8,10H,9,11-15H2,1H3
InChIKeyOBUQQOPLGDSVMI-UHFFFAOYSA-N
MW425.53 g/mol
LogP0.97
Rot. Bonds7

About N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 55353222) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID55353222
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H23N3O5S2/c1-20(11-9-16-4-2-3-10-19-16)27(22,23)17-5-7-18(8-6-17)28(24,25)21-12-14-26-15-13-21/h2-8,10H,9,11-15H2,1H3
InChIKeyOBUQQOPLGDSVMI-UHFFFAOYSA-N
XLogP0.97
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 7923071
4-(3-chloro-2-cyanophenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23740440
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
1-(4-chlorophenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 27175600

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 55353222) is N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is OBUQQOPLGDSVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-20(11-9-16-4-2-3-10-19-16)27(22,23)17-5-7-18(8-6-17)28(24,25)21-12-14-26-15-13-21/h2-8,10H,9,11-15H2,1H3.
What are the key properties of N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 425.53 g/mol, XLogP of 0.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 55353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).