N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide

C17H20N2O3S — CID 110362516

IUPACN-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14-7-8-15(19-9-11-22-12-10-19)13-17(14)18-23(20,21)16-5-3-2-4-6-16/h2-8,13,18H,9-12H2,1H3
InChIKeyLQGPQEHOFUIZIT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.63
Rot. Bonds4

About N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide

N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 110362516) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID110362516
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14-7-8-15(19-9-11-22-12-10-19)13-17(14)18-23(20,21)16-5-3-2-4-6-16/h2-8,13,18H,9-12H2,1H3
InChIKeyLQGPQEHOFUIZIT-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
2-(benzenesulfonamido)-5-morpholin-4-ylbenzoic acid
CID 45302820
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22272444

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide (CID 110362516) is N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide is Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is LQGPQEHOFUIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-7-8-15(19-9-11-22-12-10-19)13-17(14)18-23(20,21)16-5-3-2-4-6-16/h2-8,13,18H,9-12H2,1H3.
What are the key properties of N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide?
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110362516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).