3-(2-morpholin-4-ylsulfonylphenyl)aniline

C16H18N2O3S — CID 66864744

IUPAC3-(2-morpholin-4-ylsulfonylphenyl)aniline
SMILESNc1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N2O3S/c17-14-5-3-4-13(12-14)15-6-1-2-7-16(15)22(19,20)18-8-10-21-11-9-18/h1-7,12H,8-11,17H2
InChIKeyDBCFEAFFFIYLGZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.96
Rot. Bonds3

About 3-(2-morpholin-4-ylsulfonylphenyl)aniline

3-(2-morpholin-4-ylsulfonylphenyl)aniline (PubChem CID 66864744) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylsulfonylphenyl)aniline.

Molecular Properties

Compound Name3-(2-morpholin-4-ylsulfonylphenyl)aniline
PubChem CID66864744
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-(2-morpholin-4-ylsulfonylphenyl)aniline
SMILESNc1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N2O3S/c17-14-5-3-4-13(12-14)15-6-1-2-7-16(15)22(19,20)18-8-10-21-11-9-18/h1-7,12H,8-11,17H2
InChIKeyDBCFEAFFFIYLGZ-UHFFFAOYSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.96
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

2-morpholin-4-ylsulfonyl-3-phenylaniline
CID 174609206
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
2-(3-aminophenyl)benzenesulfonic acid
CID 151953907
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
2-morpholin-4-ylsulfonylphenol
CID 79020270
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
5-(2-morpholin-4-ylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 169404669
3-(morpholin-4-ylsulfonylmethyl)aniline
CID 43255619
3-morpholin-4-ylsulfonyl-1H-indol-5-amine
CID 14736107
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylsulfonylphenyl)aniline?
The IUPAC name of 3-(2-morpholin-4-ylsulfonylphenyl)aniline (CID 66864744) is 3-(2-morpholin-4-ylsulfonylphenyl)aniline.
What is the SMILES notation for 3-(2-morpholin-4-ylsulfonylphenyl)aniline?
The canonical SMILES for 3-(2-morpholin-4-ylsulfonylphenyl)aniline is Nc1cccc(-c2ccccc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(2-morpholin-4-ylsulfonylphenyl)aniline?
The InChIKey is DBCFEAFFFIYLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-14-5-3-4-13(12-14)15-6-1-2-7-16(15)22(19,20)18-8-10-21-11-9-18/h1-7,12H,8-11,17H2.
What are the key properties of 3-(2-morpholin-4-ylsulfonylphenyl)aniline?
3-(2-morpholin-4-ylsulfonylphenyl)aniline has a molecular weight of 318.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylsulfonylphenyl)aniline is sourced from PubChem (CID 66864744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).