4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile

C19H21N3O3S — CID 27056917

IUPAC4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O3S/c1-15-2-7-18(21-14-17-5-3-16(13-20)4-6-17)12-19(15)26(23,24)22-8-10-25-11-9-22/h2-7,12,21H,8-11,14H2,1H3
InChIKeyWTEIYXHCAHBOPO-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.50
Rot. Bonds5

About 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile

4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile (PubChem CID 27056917) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
PubChem CID27056917
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
SMILESCc1ccc(NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21N3O3S/c1-15-2-7-18(21-14-17-5-3-16(13-20)4-6-17)12-19(15)26(23,24)22-8-10-25-11-9-22/h2-7,12,21H,8-11,14H2,1H3
InChIKeyWTEIYXHCAHBOPO-UHFFFAOYSA-N
XLogP2.50
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 46489210
3-[(4-fluoro-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 78840350
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55570525
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 133358400
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile?
The IUPAC name of 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile (CID 27056917) is 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile?
The canonical SMILES for 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile is Cc1ccc(NCc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile?
The InChIKey is WTEIYXHCAHBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-15-2-7-18(21-14-17-5-3-16(13-20)4-6-17)12-19(15)26(23,24)22-8-10-25-11-9-22/h2-7,12,21H,8-11,14H2,1H3.
What are the key properties of 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile?
4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile has a molecular weight of 371.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile is sourced from PubChem (CID 27056917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).