4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide

C14H17N3O3S — CID 112727914

IUPAC4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1cccc(S(=O)(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H17N3O3S/c15-10-11-3-1-4-13(9-11)21(19,20)16-8-2-5-14(18)17-12-6-7-12/h1,3-4,9,12,16H,2,5-8H2,(H,17,18)
InChIKeyOAHGWMSOPQZDOY-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.90
Rot. Bonds7

About 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide

4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 112727914) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID112727914
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1cccc(S(=O)(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H17N3O3S/c15-10-11-3-1-4-13(9-11)21(19,20)16-8-2-5-14(18)17-12-6-7-12/h1,3-4,9,12,16H,2,5-8H2,(H,17,18)
InChIKeyOAHGWMSOPQZDOY-UHFFFAOYSA-N
XLogP0.90
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
3-cyano-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121937
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
CID 79381730

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 112727914) is 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is N#Cc1cccc(S(=O)(=O)NCCCC(=O)NC2CC2)c1.
What is the InChIKey of 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is OAHGWMSOPQZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-10-11-3-1-4-13(9-11)21(19,20)16-8-2-5-14(18)17-12-6-7-12/h1,3-4,9,12,16H,2,5-8H2,(H,17,18).
What are the key properties of 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 307.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 112727914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).