3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide

C18H18ClN3O3S — CID 39860943

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-22(13-15-8-6-14(12-20)7-9-15)18(23)10-11-21-26(24,25)17-5-3-2-4-16(17)19/h2-9,21H,10-11,13H2,1H3
InChIKeyZPORIJQMDOGMIB-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.54
Rot. Bonds7

About 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide (PubChem CID 39860943) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
PubChem CID39860943
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-22(13-15-8-6-14(12-20)7-9-15)18(23)10-11-21-26(24,25)17-5-3-2-4-16(17)19/h2-9,21H,10-11,13H2,1H3
InChIKeyZPORIJQMDOGMIB-UHFFFAOYSA-N
XLogP2.54
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide (CID 39860943) is 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide?
The InChIKey is ZPORIJQMDOGMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-22(13-15-8-6-14(12-20)7-9-15)18(23)10-11-21-26(24,25)17-5-3-2-4-16(17)19/h2-9,21H,10-11,13H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide has a molecular weight of 391.88 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[(4-cyanophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 39860943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).