4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide

C14H17N3O3S — CID 79380052

IUPAC4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H17N3O3S/c15-10-11-4-1-2-5-13(11)21(19,20)16-9-3-6-14(18)17-12-7-8-12/h1-2,4-5,12,16H,3,6-9H2,(H,17,18)
InChIKeyZMJJVROQILVCDU-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.90
Rot. Bonds7

About 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide

4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 79380052) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID79380052
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H17N3O3S/c15-10-11-4-1-2-5-13(11)21(19,20)16-9-3-6-14(18)17-12-7-8-12/h1-2,4-5,12,16H,3,6-9H2,(H,17,18)
InChIKeyZMJJVROQILVCDU-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 ≤ 500307.37
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-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
4-[(4-bromo-2-fluorophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 116528718
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 8601310
N-cyclopropyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanamide
CID 78954154
2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 60844819
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
N-(3-azidopropyl)-2-cyanobenzenesulfonamide
CID 61344901
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 79380052) is 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is N#Cc1ccccc1S(=O)(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is ZMJJVROQILVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-10-11-4-1-2-5-13(11)21(19,20)16-9-3-6-14(18)17-12-7-8-12/h1-2,4-5,12,16H,3,6-9H2,(H,17,18).
What are the key properties of 4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 307.37 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-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79380052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).