3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide

C13H17N3O3S — CID 115581954

IUPAC3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-13(17)6-7-15-20(18,19)12-5-3-4-11(8-12)9-14/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyOLHSLMAXYVNFGA-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.75
Rot. Bonds6

About 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide

3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 115581954) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID115581954
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-13(17)6-7-15-20(18,19)12-5-3-4-11(8-12)9-14/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyOLHSLMAXYVNFGA-UHFFFAOYSA-N
XLogP0.75
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide (CID 115581954) is 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is OLHSLMAXYVNFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)16-13(17)6-7-15-20(18,19)12-5-3-4-11(8-12)9-14/h3-5,8,10,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 295.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).