4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline

C17H20N2O3S — CID 110454136

IUPAC4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
SMILESCc1ccc(N)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-2-5-15(18)12-17(13)14-3-6-16(7-4-14)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,18H2,1H3
InChIKeyJAVLIUPKDHQIPO-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.27
Rot. Bonds3

About 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline

4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline (PubChem CID 110454136) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
PubChem CID110454136
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
SMILESCc1ccc(N)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-13-2-5-15(18)12-17(13)14-3-6-16(7-4-14)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,18H2,1H3
InChIKeyJAVLIUPKDHQIPO-UHFFFAOYSA-N
XLogP2.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4-[4-(4-methoxy-2-morpholin-4-ylsulfonylphenyl)phenyl]sulfonylmorpholine
CID 71671443
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
3-chloro-4-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 118625299
2-methyl-4-morpholin-4-ylsulfonylbenzenecarbothioamide
CID 106919912
N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55890930
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline?
The IUPAC name of 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline (CID 110454136) is 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline.
What is the SMILES notation for 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline?
The canonical SMILES for 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline is Cc1ccc(N)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline?
The InChIKey is JAVLIUPKDHQIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-2-5-15(18)12-17(13)14-3-6-16(7-4-14)23(20,21)19-8-10-22-11-9-19/h2-7,12H,8-11,18H2,1H3.
What are the key properties of 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline?
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline has a molecular weight of 332.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline is sourced from PubChem (CID 110454136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).