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

C14H17N3O3S — CID 112727913

IUPAC4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-10-11-3-7-13(8-4-11)21(19,20)16-9-1-2-14(18)17-12-5-6-12/h3-4,7-8,12,16H,1-2,5-6,9H2,(H,17,18)
InChIKeyNNNFVFIJSAQOHW-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.90
Rot. Bonds7

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

4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 112727913) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID112727913
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-10-11-3-7-13(8-4-11)21(19,20)16-9-1-2-14(18)17-12-5-6-12/h3-4,7-8,12,16H,1-2,5-6,9H2,(H,17,18)
InChIKeyNNNFVFIJSAQOHW-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-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N-cyclopentyl-6-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20967242
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
CID 79381730
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 112727913) is 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is N#Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is NNNFVFIJSAQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-10-11-3-7-13(8-4-11)21(19,20)16-9-1-2-14(18)17-12-5-6-12/h3-4,7-8,12,16H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(4-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-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 112727913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).