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

C17H20N2O3S — CID 2813423

IUPAC4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyHPGIERMBOVEBRN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.63
Rot. Bonds4

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

4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2813423) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2813423
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyHPGIERMBOVEBRN-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

4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
[(4-Methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine
CID 3453336
1-Benzenesulfonyl-4-o-tolyl-piperazine
CID 740952
4-methyl-N-(4-(4-phenylpiperazin-1-yl)butyl)benzenesulfonamide
CID 11740935
N-(2-methylpropyl)-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylmethanesulfonamide
CID 89701100
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 2813423) is 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is HPGIERMBOVEBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(20,21)18-16-4-2-3-5-17(16)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
4-methyl-N-(2-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 4-methyl-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2813423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).