4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide

C13H19N3O4S — CID 79376745

IUPAC4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C13H19N3O4S/c14-11-8-10(5-6-12(11)17)21(19,20)15-7-1-2-13(18)16-9-3-4-9/h5-6,8-9,15,17H,1-4,7,14H2,(H,16,18)
InChIKeyDISCROWXNASOHO-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.31
Rot. Bonds7

About 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide

4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide (PubChem CID 79376745) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
PubChem CID79376745
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
SMILESNc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1O
InChIInChI=1S/C13H19N3O4S/c14-11-8-10(5-6-12(11)17)21(19,20)15-7-1-2-13(18)16-9-3-4-9/h5-6,8-9,15,17H,1-4,7,14H2,(H,16,18)
InChIKeyDISCROWXNASOHO-UHFFFAOYSA-N
XLogP0.31
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624
N-cyclopropyl-4-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]butanamide
CID 79381730
4-[(4-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727913
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
4-[(3-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 112727914
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 116792003
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
3-[(3-amino-5-methylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79385378

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide (CID 79376745) is 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide is Nc1cc(S(=O)(=O)NCCCC(=O)NC2CC2)ccc1O.
What is the InChIKey of 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide?
The InChIKey is DISCROWXNASOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-11-8-10(5-6-12(11)17)21(19,20)15-7-1-2-13(18)16-9-3-4-9/h5-6,8-9,15,17H,1-4,7,14H2,(H,16,18).
What are the key properties of 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide?
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide has a molecular weight of 313.38 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79376745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).