2-morpholin-4-ylsulfonyl-3-phenylaniline

C16H18N2O3S — CID 174609206

IUPAC2-morpholin-4-ylsulfonyl-3-phenylaniline
SMILESNc1cccc(-c2ccccc2)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O3S/c17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)22(19,20)18-9-11-21-12-10-18/h1-8H,9-12,17H2
InChIKeyAXJRBBZCJZRCSY-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.96
Rot. Bonds3

About 2-morpholin-4-ylsulfonyl-3-phenylaniline

2-morpholin-4-ylsulfonyl-3-phenylaniline (PubChem CID 174609206) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonyl-3-phenylaniline.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonyl-3-phenylaniline
PubChem CID174609206
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-morpholin-4-ylsulfonyl-3-phenylaniline
SMILESNc1cccc(-c2ccccc2)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O3S/c17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)22(19,20)18-9-11-21-12-10-18/h1-8H,9-12,17H2
InChIKeyAXJRBBZCJZRCSY-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

3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine
CID 20754545
4-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 89358468

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylsulfonyl-3-phenylaniline?
The IUPAC name of 2-morpholin-4-ylsulfonyl-3-phenylaniline (CID 174609206) is 2-morpholin-4-ylsulfonyl-3-phenylaniline.
What is the SMILES notation for 2-morpholin-4-ylsulfonyl-3-phenylaniline?
The canonical SMILES for 2-morpholin-4-ylsulfonyl-3-phenylaniline is Nc1cccc(-c2ccccc2)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylsulfonyl-3-phenylaniline?
The InChIKey is AXJRBBZCJZRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-15-8-4-7-14(13-5-2-1-3-6-13)16(15)22(19,20)18-9-11-21-12-10-18/h1-8H,9-12,17H2.
What are the key properties of 2-morpholin-4-ylsulfonyl-3-phenylaniline?
2-morpholin-4-ylsulfonyl-3-phenylaniline 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 2-morpholin-4-ylsulfonyl-3-phenylaniline is sourced from PubChem (CID 174609206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).